C76H59ClF6N20O3 — CID 159921705
2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 159921705) has the molecular formula C76H59ClF6N20O3 and a molecular weight of 1449.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
| Compound Name | 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine |
|---|---|
| PubChem CID | 159921705 |
| Molecular Formula | C76H59ClF6N20O3 |
| Molecular Weight | 1449.89 g/mol |
| Exact Mass | 1448.47 |
| IUPAC Name | 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine |
| SMILES | Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccccc2)n1 |
| InChI | InChI=1S/C21H16F3N5.C19H14F3N5O.C18H14ClN5O.C18H15N5O/c1-13-11-18(26-19-12-17(28-29-19)14-5-3-2-4-6-14)27-20(25-13)15-7-9-16(10-8-15)21(22,23)24;1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22;1-11-9-16(22-18(20-11)12-4-6-13(19)7-5-12)21-17-10-14(23-24-17)15-3-2-8-25-15;1-12-10-16(21-18(19-12)13-6-3-2-4-7-13)20-17-11-14(22-23-17)15-8-5-9-24-15/h2-12H,1H3,(H2,25,26,27,28,29);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,19,20,21,22,23) |
| InChIKey | NYMFWHQPBIOZNJ-UHFFFAOYSA-N |
| XLogP | 19.81 |
| TPSA | 305.38 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 106 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1449.89 |
| LogP ≤ 5 | 19.81 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |