C84H88F3N25 — CID 158352473
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine (PubChem CID 158352473) has the molecular formula C84H88F3N25 and a molecular weight of 1504.80 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine.
| Compound Name | N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine |
|---|---|
| PubChem CID | 158352473 |
| Molecular Formula | C84H88F3N25 |
| Molecular Weight | 1504.80 g/mol |
| Exact Mass | 1503.76 |
| IUPAC Name | N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine |
| SMILES | CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2nc(-c3ccccc3)nc(C)c2C)n[nH]1.Cc1ccc(-c2nc(C)cc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1 |
| InChI | InChI=1S/C20H23N5.C17H16F3N5.2C16H17N5.C15H15N5/c1-13-7-9-16(10-8-13)20-21-14(2)11-18(23-20)22-19-12-17(24-25-19)15-5-3-4-6-15;1-3-13-9-14(22-15-8-10(2)24-25-15)23-16(21-13)11-4-6-12(7-5-11)17(18,19)20;1-10-9-14(21-20-10)18-15-11(2)12(3)17-16(19-15)13-7-5-4-6-8-13;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12;1-10-8-13(17-14-9-11(2)19-20-14)18-15(16-10)12-6-4-3-5-7-12/h7-12,15H,3-6H2,1-2H3,(H2,21,22,23,24,25);4-9H,3H2,1-2H3,(H2,21,22,23,24,25);4-9H,1-3H3,(H2,17,18,19,20,21);4-10H,3H2,1-2H3,(H2,17,18,19,20,21);3-9H,1-2H3,(H2,16,17,18,19,20) |
| InChIKey | GSMHUYHJZONROR-UHFFFAOYSA-N |
| XLogP | 19.63 |
| TPSA | 332.45 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 112 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1504.80 |
| LogP ≤ 5 | 19.63 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |