C108H134Cl2F9N27O12S5 — CID 157142916
5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(4-methoxy-5-methylsulfonyl-2-propan-2-ylphenyl)methyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine (PubChem CID 157142916) has the molecular formula C108H134Cl2F9N27O12S5 and a molecular weight of 2404.66 g/mol. Its IUPAC name is 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(4-methoxy-5-methylsulfonyl-2-propan-2-ylphenyl)methyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine.
| Compound Name | 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(4-methoxy-5-methylsulfonyl-2-propan-2-ylphenyl)methyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine |
|---|---|
| PubChem CID | 157142916 |
| Molecular Formula | C108H134Cl2F9N27O12S5 |
| Molecular Weight | 2404.66 g/mol |
| Exact Mass | 2401.85 |
| IUPAC Name | 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(4-methoxy-5-methylsulfonyl-2-propan-2-ylphenyl)methyl]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]methyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethylsulfanyl)-3-pyridinyl]sulfanyl]-2-methylpyrimidin-4-amine |
| SMILES | COc1cc(C(C)C)c(Cc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Cc2cnc(C)nc2N)cc1C(F)(F)F.COc1nc(C(C)C)c(Cc2cnc(C)nc2N)cc1Cl.COc1nc(C(C)C)c(Cc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1Cl.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1C(F)(F)F.COc1nc(C(C)C)c(Sc2cnc(C)nc2N)cc1SC(F)(F)F |
| InChI | InChI=1S/C17H23N3O3S.C16H19F3N4O.C16H22N4O3S.C15H19ClN4O.C15H17F3N4OS2.C15H17F3N4OS.C14H17ClN4O2/c1-10(2)14-8-15(23-4)16(24(5,21)22)7-12(14)6-13-9-19-11(3)20-17(13)18;1-8(2)13-10(5-11-7-21-9(3)22-14(11)20)6-12(16(17,18)19)15(23-13)24-4;1-9(2)14-11(6-12-8-18-10(3)19-15(12)17)7-13(24(5,21)22)16(20-14)23-4;1-8(2)13-10(6-12(16)15(20-13)21-4)5-11-7-18-9(3)19-14(11)17;1-7(2)12-9(24-11-6-20-8(3)21-13(11)19)5-10(14(22-12)23-4)25-15(16,17)18;1-7(2)12-10(24-11-6-20-8(3)21-13(11)19)5-9(15(16,17)18)14(22-12)23-4;1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16/h7-10H,6H2,1-5H3,(H2,18,19,20);6-8H,5H2,1-4H3,(H2,20,21,22);7-9H,6H2,1-5H3,(H2,17,18,19);6-8H,5H2,1-4H3,(H2,17,18,19);5-7H,1-4H3,(H2,19,20,21);5-7H,1-4H3,(H2,19,20,21);5-7H,1-4H3,(H2,16,17,18) |
| InChIKey | AKJQSZRFWQIILX-UHFFFAOYSA-N |
| XLogP | 23.09 |
| TPSA | 582.06 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2404.66 |
| LogP ≤ 5 | 23.09 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 42 |