C191H262N40O20S3 — CID 158667752
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-methylidenepyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(propyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopropylamino)methyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 158667752) has the molecular formula C191H262N40O20S3 and a molecular weight of 3534.66 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-methylidenepyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(propyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopropylamino)methyl]phenyl]pyrimidine-4-carboxamide.
| Compound Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-methylidenepyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(propyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopropylamino)methyl]phenyl]pyrimidine-4-carboxamide |
|---|---|
| PubChem CID | 158667752 |
| Molecular Formula | C191H262N40O20S3 |
| Molecular Weight | 3534.66 g/mol |
| Exact Mass | 3531.99 |
| IUPAC Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-methylidenepyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(propyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopropylamino)methyl]phenyl]pyrimidine-4-carboxamide |
| SMILES | C=C1CCCN1Cc1ccc(NC(=O)c2cc(N(CCC)CC3CC3)ncn2)c(C)c1.CC(=O)CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.CCCN(C)Cc1ccc(NC(=O)c2cc(N(CCC)CC3CC3)ncn2)c(C)c1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCOC)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(C)=O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(C)=O)cc2C)ncn1 |
| InChI | InChI=1S/C26H35N5O4S.C25H33N5O.C24H33N5O2.C24H35N5O.2C23H31N5O4S.C23H33N5O2.C23H31N5O2/c1-18-13-22(36(34,35)30(3)15-19(2)32)11-12-23(18)29-26(33)24-14-25(28-17-27-24)31(16-20-9-10-20)21-7-5-4-6-8-21;1-4-11-30(15-20-7-8-20)24-14-23(26-17-27-24)25(31)28-22-10-9-21(13-18(22)2)16-29-12-5-6-19(29)3;1-4-11-29(15-19-5-6-19)23-13-22(26-16-27-23)24(31)28-21-8-7-20(12-17(21)2)14-25-10-9-18(3)30;1-5-11-28(4)15-20-9-10-21(18(3)13-20)27-24(30)22-14-23(26-17-25-22)29(12-6-2)16-19-7-8-19;1-5-10-28(14-18-6-7-18)22-12-21(24-15-25-22)23(30)26-20-9-8-19(11-16(20)2)33(31,32)27(4)13-17(3)29;1-4-11-28(14-18-5-6-18)22-13-21(24-15-25-22)23(30)27-20-8-7-19(12-16(20)2)33(31,32)26-10-9-17(3)29;1-4-10-28(15-18-5-6-18)22-13-21(25-16-26-22)23(29)27-20-8-7-19(12-17(20)2)14-24-9-11-30-3;1-4-9-28(14-18-5-6-18)22-11-21(25-15-26-22)23(30)27-20-8-7-19(10-16(20)2)13-24-12-17(3)29/h11-14,17,20-21H,4-10,15-16H2,1-3H3,(H,29,33);9-10,13-14,17,20H,3-8,11-12,15-16H2,1-2H3,(H,28,31);7-8,12-13,16,19,25H,4-6,9-11,14-15H2,1-3H3,(H,28,31);9-10,13-14,17,19H,5-8,11-12,15-16H2,1-4H3,(H,27,30);8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3,(H,26,30);7-8,12-13,15,18,26H,4-6,9-11,14H2,1-3H3,(H,27,30);7-8,12-13,16,18,24H,4-6,9-11,14-15H2,1-3H3,(H,27,29);7-8,10-11,15,18,24H,4-6,9,12-14H2,1-3H3,(H,27,30) |
| InChIKey | IDOMSIKLWJXRIZ-UHFFFAOYSA-N |
| XLogP | 29.34 |
| TPSA | 723.04 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 88 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3534.66 |
| LogP ≤ 5 | 29.34 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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