C137H167N29O6 — CID 158582741
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane (PubChem CID 158582741) has the molecular formula C137H167N29O6 and a molecular weight of 2316.04 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane.
| Compound Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane |
|---|---|
| PubChem CID | 158582741 |
| Molecular Formula | C137H167N29O6 |
| Molecular Weight | 2316.04 g/mol |
| Exact Mass | 2314.37 |
| IUPAC Name | 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane |
| SMILES | C.C.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.CCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1.Cc1cc2[nH]ccc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccc2[nH]ccc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 |
| InChI | InChI=1S/C24H29N5O.C24H27N5O.C23H27N5O.C23H30N4O.C21H23N5O.C20H23N5O.2CH4/c1-16-11-21-18(9-10-25-21)12-20(16)28-24(30)22-13-23(27-15-26-22)29(14-17-7-8-17)19-5-3-2-4-6-19;30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;29-23(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;1-2-17-10-12-19(13-11-17)26-23(28)21-14-22(25-16-24-21)27(15-18-8-9-18)20-6-4-3-5-7-20;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;1-2-9-25(12-14-3-4-14)19-11-18(22-13-23-19)20(26)24-16-5-6-17-15(10-16)7-8-21-17;;/h9-13,15,17,19,25H,2-8,14H2,1H3,(H,28,30);4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);8-13,15-16,19,24H,1-7,14H2,(H,27,29);10-14,16,18,20H,2-9,15H2,1H3,(H,26,28);5-6,9-15H,2-4,7-8H2,1H3,(H,22,25,27);5-8,10-11,13-14,21H,2-4,9,12H2,1H3,(H,24,26);2*1H4 |
| InChIKey | HTLLYDRGXYDCAN-UHFFFAOYSA-N |
| XLogP | 28.65 |
| TPSA | 421.87 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2316.04 |
| LogP ≤ 5 | 28.65 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |