Pyrimidines and pyrimidine derivatives

Thiamine Hydrochloride, Powder, MP Biomedicals

CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.359 MDL Number: MFCD00012780 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: thiamine nitrate, thiamine mononitrate, vitamin b1 nitrate, vitamin b1 mononitrate, aneurine mononitrate, aneurine nitrate, betabion mononitrate, thiamine nitrate salt, vitamin b sub 1 nitrate, thiamine mononitrate usp PubChem CID: 10762 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-]

8-Azaguanine 98%, ACROS Organics™

CAS: 134-58-7 Molecular Formula: C4H4N6O Molecular Weight (g/mol): 152.117 InChI Key: LPXQRXLUHJKZIE-UHFFFAOYSA-N Synonym: 8-azaguanine, guanazolo, azaguanine-8, azaguanine, guanazol, pathocidin, pathocidine, triazologuanine, azan, 8 ag PubChem CID: 8646 ChEBI: CHEBI:63486 IUPAC Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: C12=NNNC1=NC(=NC2=O)N

Orotic acid, 98%, anhydrous, ACROS Organics™

CAS: 65-86-1 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.1 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid, 6-carboxyuracil, orodin, oropur, orotonin, orotonsan, oroturic, orotyl, vitamin b13, whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O

Alfa Aesar™ Barbituric acid, 99%

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.087 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid, malonylurea, 2,4,6 1h,3h,5h-pyrimidinetrione, 6-hydroxyuracil, pyrimidinetrione, 2,4,6-trihydroxypyrimidine, 2,4,6-pyrimidinetrione, pyrimidine-2,4,6 1h,3h,5h-trione, barbiturate, malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: C1C(=O)NC(=O)NC1=O

Alfa Aesar™ Murexide

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 MDL Number: MFCD00012777 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L Synonym: murexide, ammonium purpurate acid, 6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate, 5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt, 6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

5-Fluorouracil, 99%, Alfa Aesar™

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.078 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil, fluorouracil, 5-fu, fluoroplex, adrucil, efudex, carac, fluracil, fluoroblastin, kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)F

2-Amino-5-chloropyrimidine, 97%, ACROS Organics™

CAS: 5428-89-7 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 InChI Key: OQZMDDKDHRIGDY-UHFFFAOYSA-N Synonym: 2-amino-5-chloropyrimidine, 2-pyrimidinamine, 5-chloro, 5-chloro-2-pyrimidinamine, pyrimidine, 2-amino-5-chloro, 5-chloropyrimidine-2-ylamine, 5-chlorpyrimidin-2-amin, chloropyrimidinamine, zlchem 634, pubchem9619, acmc-1aya8 PubChem CID: 79479 IUPAC Name: 5-chloropyrimidin-2-amine SMILES: C1=C(C=NC(=N1)N)Cl

Uracil, 99.75%, MP Biomedicals™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil, 2,4-dihydroxypyrimidine, 2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 2,4-dioxopyrimidine, pyrimidine-2,4 1h,3h-dione, pirod, 2,4-pyrimidinedione, pyrod, hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

Pyrimethamine, 100.5%, MP Biomedicals™

CAS: 58-14-0 Molecular Formula: C12H13ClN4 Molecular Weight (g/mol): 248.714 InChI Key: WKSAUQYGYAYLPV-UHFFFAOYSA-N Synonym: pyrimethamine, chloridine, daraprim, chloridin, diaminopyritamin, 5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine, ethylpyrimidine, pirimetamina, chloridyn, malocide PubChem CID: 4993 ChEBI: CHEBI:8673 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

5-Nitrouracil, 99+%, ACROS Organics™

CAS: 611-08-5 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.08 MDL Number: MFCD00006021 InChI Key: TUARVSWVPPVUGS-UHFFFAOYSA-N Synonym: 5-nitrouracil, 2,4-dihydroxy-5-nitropyrimidine, 5-nitropyrimidine-2,4-diol, uracil, 5-nitro, 5-nitropyrimidine-2,4 1h,3h-dione, 2,4 1h,3h-pyrimidinedione, 5-nitro, 5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione, 4-hydroxy-5-nitropyrimidin-2 1h-one, 2,4 1h,3h-pyrimidinedione-5-nitro, 5-nitrouracil 2,4-dihydroxy-5-nitropyrimidine PubChem CID: 69135 ChEBI: CHEBI:60763 IUPAC Name: 5-nitro-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

Alfa Aesar™ Thiamine nitrate

CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.359 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: thiamine nitrate, thiamine mononitrate, vitamin b1 nitrate, vitamin b1 mononitrate, aneurine mononitrate, aneurine nitrate, betabion mononitrate, thiamine nitrate salt, vitamin b sub 1 nitrate, thiamine mononitrate usp PubChem CID: 10762 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-]

Alfa Aesar™ Cytosine, 98+%

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.104 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine, 4-amino-2-hydroxypyrimidine, cytosinimine, 2 1h-pyrimidinone, 4-amino, 4-amino-2 1h-pyrimidinone, 4-aminopyrimidin-2 1h-one, 6-aminopyrimidin-2 1h-one, 2 1h-pyrimidinone, 6-amino, cyt, 4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 IUPAC Name: 6-amino-1H-pyrimidin-2-one SMILES: C1=C(NC(=O)N=C1)N

Alfa Aesar™ Methyl 5-bromopyrimidine-2-carboxylate, 95%

CAS: 89581-38-4 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD11111606 InChI Key: XILAKTMDKMVJQV-UHFFFAOYSA-N Synonym: methyl 5-bromopyrimidine-2-carboxyate, methyl-5-bromo-2 pyrimidine carboxylate, 5-bromo-pyrimidine-2-carboxylic acid methyl ester, 2-pyrimidinecarboxylic acid, 5-bromo-, methyl ester, 2-pyrimidinecarboxylicacid, 5-bromo-, methyl ester, 5-bromopyrimidine-2-carboxylic acid methyl ester, acmc-20dmbr, pubchem21032, methyl5-bromopyrimidine-2-carboxylate, methyl 5-bromanylpyrimidine-2-carboxylate PubChem CID: 45790831 IUPAC Name: methyl 5-bromopyrimidine-2-carboxylate SMILES: COC(=O)C1=NC=C(C=N1)Br

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97%, Maybridge™

CAS: 127958-10-5 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 MDL Number: MFCD02682072 InChI Key: XKJAQESOTNACHT-UHFFFAOYSA-N Synonym: 2-methyl-4-phenyl-5-pyrimidinecarboxylic acid, 5-pyrimidinecarboxylicacid, 2-methyl-4-phenyl, 5-pyrimidinecarboxylic acid, 2-methyl-4-phenyl, acmc-1c0qx, 2-methyl-4-phenylpyrimidin-5-carboxylic acid, 5-pyrimidinecarboxylicacid,2-methyl-4-phenyl, 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid PubChem CID: 2776510 IUPAC Name: 2-methyl-4-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O

Alfa Aesar™ Isocytosine, 99%

CAS: 108-53-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.104 MDL Number: MFCD00057557 InChI Key: XQCZBXHVTFVIFE-UHFFFAOYSA-N Synonym: isocytosine, 2-amino-4-hydroxypyrimidine, 2-aminopyrimidin-4-ol, 2-aminopyrimidin-4 1h-one, 2-amino-4-pyrimdinol, 2-amino-4-pyrimidone, 2-amino-4-oxypyrimidine, 2-aminouracil, 4-pyrimidinol, 2-amino, 4 1h-pyrimidinone, 2-amino PubChem CID: 66950 ChEBI: CHEBI:55502 IUPAC Name: 2-amino-1H-pyrimidin-6-one SMILES: C1=CN=C(NC1=O)N

3-Pyrimidin-5-ylbenzaldehyde, 97%, Maybridge™

CAS: 640769-70-6 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD05864833 InChI Key: RAHJVJBPRWJPHE-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-yl benzaldehyde, 3-pyrimidin-5-yl-benzaldehyde, 3-5-pyrimidinyl benzaldehyde, benzaldehyde, 3-5-pyrimidinyl, acmc-1b2vh, benzaldehyde,3-5-pyrimidinyl PubChem CID: 4187249 IUPAC Name: 3-pyrimidin-5-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=CN=CN=C2

Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate, 98%, Alfa Aesar™

CAS: 1027511-41-6 Molecular Formula: C9H8BrN3O2 Molecular Weight (g/mol): 270.086 MDL Number: MFCD10574908 InChI Key: PZZTXIWJXOMKEU-UHFFFAOYSA-N Synonym: ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylate, 6-bromo-3-ethoxycarbonyl pyrazolo 1,5-a pyrimidine, 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester, pubchem20934, ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxyla, ethyl 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylate, ethyl 6-bromopyrazolo 1,5-alpha pyrimidine-3-carboxylate, 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester PubChem CID: 45073325 IUPAC Name: ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate SMILES: CCOC(=O)C1=C2N=CC(=CN2N=C1)Br

Alfa Aesar™ Uracil-6-carboxaldehyde monohydrate, 98%

CAS: 36327-91-0 Molecular Formula: C5H6N2O4 Molecular Weight (g/mol): 158.113 MDL Number: MFCD03002359 InChI Key: FFSRLRNGSZKHTN-UHFFFAOYSA-N Synonym: 6-formyluracil monohydrate, 6-formyl-uracil monohydrate, 5-formyluracil hydrate, uracil-6-carboxaldehyde monohydrate, 6-formyl-uracil hydrate, 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carbaldehyde hydrate, 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde hydrate, orotalaldehyde, 4-formyluracil monohydrate, acmc-1ahy8 PubChem CID: 2736500 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carbaldehyde;hydrate SMILES: C1=C(NC(=O)NC1=O)C=O.O

Alfa Aesar™ Orotic acid, anhydrous, 97%

CAS: 65-86-1 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.097 MDL Number: MFCD00006027 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid, 6-carboxyuracil, orodin, oropur, orotonin, orotonsan, oroturic, orotyl, vitamin b13, whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O

2,4-Dihydroxy-6-methylpyrimidine, 97%, ACROS Organics™

CAS: 626-48-2 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006028 InChI Key: SHVCSCWHWMSGTE-UHFFFAOYSA-N Synonym: 6-methyluracil, 2,4-dihydroxy-6-methylpyrimidine, pseudothymine, 6-methylpyrimidine-2,4 1h,3h-dione, 4-methyluracil, 6-methylpyrimidine-2,4-diol, 2,4 1h,3h-pyrimidinedione, 6-methyl, uracil, 6-methyl, 6-methyl-2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 6-methyl PubChem CID: 12283 ChEBI: CHEBI:74733 IUPAC Name: 6-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CC(=O)NC(=O)N1

Alfa Aesar™ 6-(Trifluoromethyl)uracil, 97%

CAS: 672-45-7 Molecular Formula: C5H3F3N2O2 Molecular Weight (g/mol): 180.086 MDL Number: MFCD01011762 InChI Key: IROWWTVZNHKLLE-UHFFFAOYSA-N Synonym: 6-trifluoromethyl uracil, 2,4-dihydroxy-6-trifluoromethylpyrimidine, 6-trifluoromethyl pyrimidine-2,4-diol, uracil, 6-trifluoromethyl, 6-trifluoromethyl-pyrimidine-2,4-diol, 6-trifluoromethyl pyrimidine-2,4 1h,3h-dione, 2,4 1h,3h-pyrimidinedione, 6-trifluoromethyl, 6-trifluoromethyluracil, 6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-trifluoromethyl-1h-pyrimidine-2,4-dione PubChem CID: 233890 IUPAC Name: 6-(trifluoromethyl)-1H-pyrimidine-2,4-dione SMILES: C1=C(NC(=O)NC1=O)C(F)(F)F

Alfa Aesar™ 4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine, 95%

CAS: 150728-13-5 Molecular Formula: C15H10Cl2N4O2 Molecular Weight (g/mol): 349.171 MDL Number: MFCD03839838 InChI Key: IZGOBGVYADHVKH-UHFFFAOYSA-N Synonym: 4,6-dichloro-5-2-methoxyphenoxy-2,2'-bipyrimidine, 4,6-dichloro-5-2-methoxyphenoxy-2,2-bipyrimidine, 2,2'-bipyrimidine, 4,6-dichloro-5-2-methoxyphenoxy, 4,6-dichloro-5-2-methoxy-phenoxy-2,2' bipyrimidinyl, 2,2'-bipyrimidine,4,6-dichloro-5-2-methoxyphenoxy, 4,6-dichloro-5-2-methoxyphenoxy-2-pyrimidin-2-yl pyrimidine, 4,6-dichloro-5-2-methoxyphenoxy 2,2'-bipyrimidine, 4,6-dichloro-5-o-methoxyphenoxy-2-2-pyrimidinyl pyrimidine, pubchem17752 PubChem CID: 10545706 IUPAC Name: 4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine SMILES: COC1=CC=CC=C1OC2=C(N=C(N=C2Cl)C3=NC=CC=N3)Cl

Alfa Aesar™ 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde, 96%

CAS: 5604-46-6 Molecular Formula: C5H3Cl2N3O Molecular Weight (g/mol): 191.999 MDL Number: MFCD03001242 InChI Key: GOJUJUVQIVIZAV-UHFFFAOYSA-N Synonym: 2-amino-4,6-dichloro-5-formylpyrimidine, 2-amino-4,6-dichloro-5-pyrimidinecarbaldehyde, 2-amino-4,6-dichloro-5-formyl-pyrimidine, 2-amino-4.6-dichloropyrimidine-5-carbaldehyde, 2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde, 2-amino-4,6-dichloropyrimidine-5-carboxaldehyde, 5-pyrimidinecarboxaldehyde, 2-amino-4,6-dichloro, 2-amino, pubchem6979, acmc-209lqn PubChem CID: 265546 IUPAC Name: 2-amino-4,6-dichloropyrimidine-5-carbaldehyde SMILES: C(=O)C1=C(N=C(N=C1Cl)N)Cl

Cytosine, 99+%, ACROS Organics™

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.1 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine, 4-amino-2-hydroxypyrimidine, cytosinimine, 2 1h-pyrimidinone, 4-amino, 4-amino-2 1h-pyrimidinone, 4-aminopyrimidin-2 1h-one, 6-aminopyrimidin-2 1h-one, 2 1h-pyrimidinone, 6-amino, cyt, 4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 IUPAC Name: 6-amino-1H-pyrimidin-2-one SMILES: C1=C(NC(=O)N=C1)N

Alfa Aesar™ 2-Hydroxypyrimidine-5-boronic acid pinacol ester, 95%

CAS: 1073354-84-3 Molecular Formula: C10H15BN2O3 Molecular Weight (g/mol): 222.051 MDL Number: MFCD09037497 InChI Key: JRCSRFGCQSLWNZ-UHFFFAOYSA-N Synonym: 2-hydroxypyrimidine-5-boronic acid pinacol ester, 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidin-2-ol, 5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyrimidin-2-ol, 5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidin-2-ol, 2-hydroxypyrimidin-5-ylboronic acid pinacol ester, 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyrimidinol, 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrimidin-2 1h-one PubChem CID: 44755196 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-2-one SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)N=C2

Alfa Aesar™ 2-Amino-4-hydroxy-5,6-dimethylpyrimidine, 97%

CAS: 3977-23-9 Molecular Formula: C6H9N3O Molecular Weight (g/mol): 139.158 MDL Number: MFCD00023258 InChI Key: APWRLAZEMYLHKZ-UHFFFAOYSA-N Synonym: 2-amino-5,6-dimethylpyrimidin-4-ol, 2-amino-5,6-dimethyl-4-hydroxypyrimidine, 2-amino-5,6-dimethylpyrimidin-4 3h-one, 2-amino-5,6-dimethyl-4-pyrimidinol, 2-amino-5,6-dimethyl-4 3h-pyrimidinone, 2-amino-5,6-dimethylpyrimidin-4 1h-one, 2-amino-5,6-dimethyl-3h-pyrimidin-4-one, aminodimethylpyrimidinol, acmc-1cpts, 4 1h-pyrimidinone, 2-amino-5,6-dimethyl PubChem CID: 77600 IUPAC Name: 2-amino-5,6-dimethyl-1H-pyrimidin-4-one SMILES: CC1=C(NC(=NC1=O)N)C

  spinner