C151H199F3N46O7S — CID 161452297
2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-piperidin-4-yl-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine (PubChem CID 161452297) has the molecular formula C151H199F3N46O7S and a molecular weight of 2859.63 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-piperidin-4-yl-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine.
| Compound Name | 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-piperidin-4-yl-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine |
|---|---|
| PubChem CID | 161452297 |
| Molecular Formula | C151H199F3N46O7S |
| Molecular Weight | 2859.63 g/mol |
| Exact Mass | 2857.63 |
| IUPAC Name | 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;N-methyl-N-piperidin-4-yl-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine |
| SMILES | CC(=O)Nc1ncc(C(C)C)cn1.CC(C)c1cnc(-c2ccc(C(N)=O)cc2)nc1.CC(C)c1cnc(-c2ccccc2)nc1.CC(C)c1cnc(-n2cc(C(C)C)nn2)nc1.CC(C)c1cnc(-n2cc(C(F)(F)F)nn2)nc1.CC(C)c1cnc(-n2cc(C3CC3)nn2)nc1.CC(C)c1cnc(CCC(N)=O)nc1.CC(C)c1cnc(CN2CCOCC2)nc1.CC(C)c1cnc(N(C)C2CCNCC2)nc1.CC(C)c1cnc(N(C)CC(N)=O)nc1.CC(C)c1cnc(N2CCC2)nc1.CC(C)c1cnc(NC(=O)c2ccccc2)nc1.CC(C)c1cnc(NC(=O)c2cccs2)nc1 |
| InChI | InChI=1S/2C14H15N3O.C13H22N4.C13H14N2.C12H15N5.C12H17N5.C12H13N3OS.C12H19N3O.C10H10F3N5.C10H16N4O.C10H15N3O.C10H15N3.C9H13N3O/c1-9(2)12-7-16-14(17-8-12)11-5-3-10(4-6-11)13(15)18;1-10(2)12-8-15-14(16-9-12)17-13(18)11-6-4-3-5-7-11;1-10(2)11-8-15-13(16-9-11)17(3)12-4-6-14-7-5-12;1-10(2)12-8-14-13(15-9-12)11-6-4-3-5-7-11;1-8(2)10-5-13-12(14-6-10)17-7-11(15-16-17)9-3-4-9;1-8(2)10-5-13-12(14-6-10)17-7-11(9(3)4)15-16-17;1-8(2)9-6-13-12(14-7-9)15-11(16)10-4-3-5-17-10;1-10(2)11-7-13-12(14-8-11)9-15-3-5-16-6-4-15;1-6(2)7-3-14-9(15-4-7)18-5-8(16-17-18)10(11,12)13;1-7(2)8-4-12-10(13-5-8)14(3)6-9(11)15;1-7(2)8-5-12-10(13-6-8)4-3-9(11)14;1-8(2)9-6-11-10(12-7-9)13-4-3-5-13;1-6(2)8-4-10-9(11-5-8)12-7(3)13/h3-9H,1-2H3,(H2,15,18);3-10H,1-2H3,(H,15,16,17,18);8-10,12,14H,4-7H2,1-3H3;3-10H,1-2H3;5-9H,3-4H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14,15,16);7-8,10H,3-6,9H2,1-2H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3,(H2,11,15);5-7H,3-4H2,1-2H3,(H2,11,14);6-8H,3-5H2,1-2H3;4-6H,1-3H3,(H,10,11,12,13) |
| InChIKey | WAROFJSILZSBET-UHFFFAOYSA-N |
| XLogP | 26.09 |
| TPSA | 678.06 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.63 |
| LogP ≤ 5 | 26.09 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 48 |