C137H144Cl3F5N16O17 — CID 158942861
1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone (PubChem CID 158942861) has the molecular formula C137H144Cl3F5N16O17 and a molecular weight of 2488.10 g/mol. Its IUPAC name is 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone.
| Compound Name | 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone |
|---|---|
| PubChem CID | 158942861 |
| Molecular Formula | C137H144Cl3F5N16O17 |
| Molecular Weight | 2488.10 g/mol |
| Exact Mass | 2484.99 |
| IUPAC Name | 1-[2-[[1-(2-chlorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-fluoro-4-methylphenyl)-2-methylpropyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;2-hydroxy-1-[2-[[1-[4-(hydroxymethyl)phenyl]cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[2-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]propyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;2-hydroxy-1-[2-[(1-phenylcyclopentyl)methyl]pyrimidin-5-yl]ethanone |
| SMILES | CC(C)(Cc1ncc(C(=O)CO)cn1)c1ccc(Cl)c(Cl)c1.Cc1cc(C(F)(F)F)cc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c1.Cc1ccc(C(C)(C)Cc2ncc(C(=O)CO)cn2)c(F)c1.O=C(CO)c1cnc(CC2(c3ccc(CO)cc3)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3)CCCCC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3Cl)CC2)nc1.O=C(CO)c1cnc(CC2(c3ccccc3F)CC2)nc1 |
| InChI | InChI=1S/C19H22N2O2.C18H19F3N2O2.C18H20N2O2.C17H19FN2O2.C17H18N2O3.C16H16Cl2N2O2.C16H15ClN2O2.C16H15FN2O2/c22-14-17(23)15-12-20-18(21-13-15)11-19(9-5-2-6-10-19)16-7-3-1-4-8-16;1-11-4-13(6-14(5-11)18(19,20)21)17(2,3)7-16-22-8-12(9-23-16)15(25)10-24;21-13-16(22)14-11-19-17(20-12-14)10-18(8-4-5-9-18)15-6-2-1-3-7-15;1-11-4-5-13(14(18)6-11)17(2,3)7-16-19-8-12(9-20-16)15(22)10-21;20-10-12-1-3-14(4-2-12)17(5-6-17)7-16-18-8-13(9-19-16)15(22)11-21;1-16(2,11-3-4-12(17)13(18)5-11)6-15-19-7-10(8-20-15)14(22)9-21;2*17-13-4-2-1-3-12(13)16(5-6-16)7-15-18-8-11(9-19-15)14(21)10-20/h1,3-4,7-8,12-13,22H,2,5-6,9-11,14H2;4-6,8-9,24H,7,10H2,1-3H3;1-3,6-7,11-12,21H,4-5,8-10,13H2;4-6,8-9,21H,7,10H2,1-3H3;1-4,8-9,20-21H,5-7,10-11H2;3-5,7-8,21H,6,9H2,1-2H3;2*1-4,8-9,20H,5-7,10H2 |
| InChIKey | JKLVEAZIDVRYGS-UHFFFAOYSA-N |
| XLogP | 21.46 |
| TPSA | 524.87 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2488.10 |
| LogP ≤ 5 | 21.46 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 33 |