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Pyrimidines and pyrimidine derivatives
Description:
Compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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Magnesium 2，6-dioxo-1，2，3，6-tetrahydropyrimidine-4-carboxylateCas Number: 34717-03-8 Compound CID: 3036905Formula: C10H6MgN4O8 Molecular Weight: 334.49IUPAC Name: magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylateSMILES: C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Mg+2]InChIKey: QWLHYYKDLOVBNV-UHFFFAOYSA-LInChI: InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2 -
Ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetateCas Number: 29571-39-9 Compound CID: 3659581Formula: C8H10N2O3S Molecular Weight: 214.24IUPAC Name: ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetateSMILES: CCOC(=O)CC1=CNC(=S)NC1=OInChIKey: AZQJLAUOZFTBTH-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O3S/c1-2-13-6(11)3-5-4-9-8(14)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,14)
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Ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoateCas Number: 641569-97-3Formula: C19H18N4O2 Molecular Weight: 334.37IUPAC Name: ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoateSMILES: CCOC(=O)C1=CC(=C(C=C1)C)NC2=NC=CC(=N2)C3=CN=CC=C3InChIKey: SYTLMFJJRMLMIO-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)Synonyms: 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester -
Ethyl 4-(cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylateCas Number: 211245-62-4 Compound CID: 9151473Formula: C13H19N3O2S Molecular Weight: 281.38SMILES: CCOC(=O)C1=CN=C(N=C1NC2CCCC2)SCInChIKey: MYJQMHHJSZBXNK-UHFFFAOYSA-NInChI: InChI=1S/C13H19N3O2S/c1-3-18-12(17)10-8-14-13(19-2)16-11(10)15-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
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Ethyl 2-hydroxypyrimidine-5-carboxylateFormula: C7H8N2O3 Molecular Weight: 168.15IUPAC Name: ethyl 2-oxo-1H-pyrimidine-5-carboxylateSMILES: CCOC(=O)C1=CNC(=O)N=C1InChIKey: CFWYVWBOCSWZIK-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-4H,2H2,1H3,(H,8,9,11)
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EnecadinCas Number: 259525-01-4Formula: C21H28FN3O Molecular Weight: 357.46IUPAC Name: 4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidineSMILES: CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)FInChIKey: SZSHJTJCJOWMHM-UHFFFAOYSA-NInChI: InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3
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6-Pyridin-2-ylpyridazin-3-olCas Number: 66317-38-2 Compound CID: 4980022Formula: C9H7N3OIUPAC Name: 3-pyridin-2-yl-1H-pyridazin-6-oneSMILES: C1=CC=NC(=C1)C2=NNC(=O)C=C2InChIKey: DDCLFSUBVBCSFN-UHFFFAOYSA-NInChI: InChI=1S/C9H7N3O/c13-9-5-4-8(11-12-9)7-3-1-2-6-10-7/h1-6H,(H,12,13)
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6-Hydroxy-1-Isopropyl-4-(4-Isopropylphenyl)-1H-Quinazolin-2-OneCas Number: 478963-71-2 Compound CID: 45140003IUPAC Name: 6-hydroxy-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-oneSMILES: CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)O)C(C)CInChIKey: OFKNILXLOVIKRS-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2O2/c1-12(2)14-5-7-15(8-6-14)19-17-11-16(23)9-10-18(17)22(13(3)4)20(24)21-19/h5-13,23H,1-4H3
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6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1，5-a]pyrimidineCas Number: 216661-72-2 Compound CID: 5329458Formula: C18H14N4O Molecular Weight: 302.3IUPAC Name: 6-(4-methoxyphenyl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidineSMILES: COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CN=CC=C4)N=C2InChIKey: KEAIZNUXWMQAGK-UHFFFAOYSA-NInChI: InChI=1S/C18H14N4O/c1-23-16-6-4-13(5-7-16)15-10-20-18-17(11-21-22(18)12-15)14-3-2-8-19-9-14/h2-12H,1H3
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2-Amino-4-chloro-6-trifluoromethyl pyrimidineCas Number: 16097-60-2 Compound CID: 13086907Formula: C5H3ClF3N3 Molecular Weight: 197.54IUPAC Name: 4-chloro-6-(trifluoromethyl)pyrimidin-2-amineSMILES: C1=C(N=C(N=C1Cl)N)C(F)(F)FInChIKey: ZLIUVGFJXHOHLN-UHFFFAOYSA-NInChI: InChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
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4-Cyclopropyl-6-methylpyrimidin-2-amineCas Number: 92238-61-4 Compound CID: 13672658Formula: C8H11N3 Molecular Weight: 149.19IUPAC Name: 4-cyclopropyl-6-methylpyrimidin-2-amineSMILES: CC1=CC(=NC(=N1)N)C2CC2InChIKey: KPMMRZPKAYBHME-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)
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3-(Pyrimidin-5-yl)propanoic acidCas Number: 933682-83-8 Compound CID: 17889103Formula: C7H8N2O2 Molecular Weight: 152.15IUPAC Name: 3-pyrimidin-5-ylpropanoic acidSMILES: C1=C(C=NC=N1)CCC(=O)OInChIKey: RNCFDQFEJGONQV-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2/c10-7(11)2-1-6-3-8-5-9-4-6/h3-5H,1-2H2,(H,10,11)
