C67H97ClF6N34 — CID 158215760
4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 158215760) has the molecular formula C67H97ClF6N34 and a molecular weight of 1528.19 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine.
| Compound Name | 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine |
|---|---|
| PubChem CID | 158215760 |
| Molecular Formula | C67H97ClF6N34 |
| Molecular Weight | 1528.19 g/mol |
| Exact Mass | 1526.82 |
| IUPAC Name | 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine |
| SMILES | C.C.C.CNC1CN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3Cl)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3n[nH]c(C)c3C)nc(N)n2)C1.C[C@@H]1CCN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1 |
| InChI | InChI=1S/C14H21N7.C13H15F3N6.C13H19N7.C12H16ClN7.C12H14F3N7.3CH4/c1-8-9(2)19-20-13(8)11-6-12(18-14(15)17-11)21-5-4-10(7-21)16-3;1-8-2-3-21(6-8)11-4-10(19-12(17)20-11)9-5-18-22(7-9)13(14,15)16;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-15-7-2-3-20(6-7)10-4-9(17-12(14)18-10)11-8(13)5-16-19-11;1-17-8-5-21(6-8)10-2-9(19-11(16)20-10)7-3-18-22(4-7)12(13,14)15;;;/h6,10,16H,4-5,7H2,1-3H3,(H,19,20)(H2,15,17,18);4-5,7-8H,2-3,6H2,1H3,(H2,17,19,20);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);4-5,7,15H,2-3,6H2,1H3,(H,16,19)(H2,14,17,18);2-4,8,17H,5-6H2,1H3,(H2,16,19,20);3*1H4/t10-;8-;9-;7-;;;;/m1111..../s1 |
| InChIKey | GCPWMTALJFLHNC-IERKCGBVSA-N |
| XLogP | 7.28 |
| TPSA | 445.00 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 108 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1528.19 |
| LogP ≤ 5 | 7.28 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 31 |