C86H133ClF3N21O9 — CID 159487969
2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine (PubChem CID 159487969) has the molecular formula C86H133ClF3N21O9 and a molecular weight of 1697.59 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine.
| Compound Name | 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine |
|---|---|
| PubChem CID | 159487969 |
| Molecular Formula | C86H133ClF3N21O9 |
| Molecular Weight | 1697.59 g/mol |
| Exact Mass | 1696.02 |
| IUPAC Name | 2-chloro-4-methyl-6-propan-2-ylpyrimidine;2-[2-hydroxyethyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;[5-(hydroxymethyl)-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-2-yl]methanol;2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol;methyl 6-propan-2-ylpyridazine-3-carboxylate;4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)morpholine;4-methyl-6-propan-2-yl-2-(trifluoromethyl)pyrimidine;4-(6-propan-2-ylpyridazin-3-yl)morpholine |
| SMILES | CC(C)c1ccc(N2CCOCC2)nn1.COC(=O)c1ccc(C(C)C)nn1.Cc1cc(C(C)C)nc(C(F)(F)F)n1.Cc1cc(C(C)C)nc(Cl)n1.Cc1cc(C(C)C)nc(N(C)CCO)n1.Cc1cc(C(C)C)nc(N(CCO)CCO)n1.Cc1cc(C(C)C)nc(N2C(CO)CCC2CO)n1.Cc1cc(C(C)C)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C14H23N3O2.C12H21N3O2.C12H19N3O.C11H17N3O.C11H19N3O.C9H11F3N2.C9H12N2O2.C8H11ClN2/c1-9(2)13-6-10(3)15-14(16-13)17-11(7-18)4-5-12(17)8-19;1-9(2)11-8-10(3)13-12(14-11)15(4-6-16)5-7-17;1-9(2)11-8-10(3)13-12(14-11)15-4-6-16-7-5-15;1-9(2)10-3-4-11(13-12-10)14-5-7-15-8-6-14;1-8(2)10-7-9(3)12-11(13-10)14(4)5-6-15;1-5(2)7-4-6(3)13-8(14-7)9(10,11)12;1-6(2)7-4-5-8(11-10-7)9(12)13-3;1-5(2)7-4-6(3)10-8(9)11-7/h6,9,11-12,18-19H,4-5,7-8H2,1-3H3;8-9,16-17H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-4,9H,5-8H2,1-2H3;7-8,15H,5-6H2,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3 |
| InChIKey | LXVAMQFKDCFVNC-UHFFFAOYSA-N |
| XLogP | 13.32 |
| TPSA | 368.35 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 120 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1697.59 |
| LogP ≤ 5 | 13.32 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |