C129H160N30O12S2 — CID 157094968
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-hydroxybutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-methoxyethylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(2-methylidene-1,3-dihydroindol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide (PubChem CID 157094968) has the molecular formula C129H160N30O12S2 and a molecular weight of 2387.03 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-hydroxybutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-methoxyethylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(2-methylidene-1,3-dihydroindol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide.
| Compound Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-hydroxybutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-methoxyethylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(2-methylidene-1,3-dihydroindol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide |
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| PubChem CID | 157094968 |
| Molecular Formula | C129H160N30O12S2 |
| Molecular Weight | 2387.03 g/mol |
| Exact Mass | 2385.23 |
| IUPAC Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-hydroxybutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(2-methoxyethylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(2-methylidene-1,3-dihydroindol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide |
| SMILES | C=C1Cc2cc(NC(=O)c3cc(N(C)C4CCCCC4)ncn3)ccc2N1.CCC(O)CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1.COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1.Cc1cc2[nH]ccc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1.O=C(Nc1ccc2[nH]ccc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 |
| InChI | InChI=1S/C23H27N5O.C22H31N5O4S.C21H29N5O4S.2C21H25N5O.C21H23N5O/c29-23(27-18-8-9-20-17(12-18)10-11-24-20)21-13-22(26-15-25-21)28(14-16-6-7-16)19-4-2-1-3-5-19;1-3-18(28)14-25-32(30,31)19-11-9-16(10-12-19)26-22(29)20-13-21(24-15-23-20)27(2)17-7-5-4-6-8-17;1-26(17-6-4-3-5-7-17)20-14-19(22-15-23-20)21(27)25-16-8-10-18(11-9-16)31(28,29)24-12-13-30-2;1-14-10-15-11-16(8-9-18(15)24-14)25-21(27)19-12-20(23-13-22-19)26(2)17-6-4-3-5-7-17;1-14-10-18-15(8-9-22-18)11-17(14)25-21(27)19-12-20(24-13-23-19)26(2)16-6-4-3-5-7-16;1-26(15-7-3-2-4-8-15)20-13-19(23-14-24-20)21(27)25-18-11-12-22-17-10-6-5-9-16(17)18/h8-13,15-16,19,24H,1-7,14H2,(H,27,29);9-13,15,17-18,25,28H,3-8,14H2,1-2H3,(H,26,29);8-11,14-15,17,24H,3-7,12-13H2,1-2H3,(H,25,27);8-9,11-13,17,24H,1,3-7,10H2,2H3,(H,25,27);8-13,16,22H,3-7H2,1-2H3,(H,25,27);5-6,9-15H,2-4,7-8H2,1H3,(H,22,25,27) |
| InChIKey | AFCGYDOZENMFOC-UHFFFAOYSA-N |
| XLogP | 22.04 |
| TPSA | 527.02 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2387.03 |
| LogP ≤ 5 | 22.04 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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