C151H197N31O9 — CID 158430951
6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) (PubChem CID 158430951) has the molecular formula C151H197N31O9 and a molecular weight of 2590.44 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide).
| Compound Name | 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) |
|---|---|
| PubChem CID | 158430951 |
| Molecular Formula | C151H197N31O9 |
| Molecular Weight | 2590.44 g/mol |
| Exact Mass | 2588.59 |
| IUPAC Name | 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) |
| SMILES | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCc1ccc(NC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1 |
| InChI | InChI=1S/C25H35N5O.C22H31N5O.2C22H28N4O.C20H23N5O2.C20H26N4O2.C20H26N4O/c1-3-11-30(17-20-7-8-20)24-15-23(26-18-27-24)25(31)28-22-10-9-21(14-19(22)2)16-29-12-5-4-6-13-29;1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4;2*1-2-11-26(14-16-7-8-16)21-13-20(23-15-24-21)22(27)25-19-10-9-17-5-3-4-6-18(17)12-19;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-3-15-6-8-17(9-7-15)23-20(25)18-12-19(22-14-21-18)24(10-11-26-2)13-16-4-5-16;1-3-11-24(13-16-5-6-16)19-12-18(21-14-22-19)20(25)23-17-9-7-15(4-2)8-10-17/h9-10,14-15,18,20H,3-8,11-13,16-17H2,1-2H3,(H,28,31);8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28);2*9-10,12-13,15-16H,2-8,11,14H2,1H3,(H,25,27);4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);6-9,12,14,16H,3-5,10-11,13H2,1-2H3,(H,23,25);7-10,12,14,16H,3-6,11,13H2,1-2H3,(H,23,25) |
| InChIKey | HBQMTBQXKBKUML-UHFFFAOYSA-N |
| XLogP | 26.99 |
| TPSA | 447.57 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2590.44 |
| LogP ≤ 5 | 26.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |