C94H122F3N27O3 — CID 162076865
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine (PubChem CID 162076865) has the molecular formula C94H122F3N27O3 and a molecular weight of 1735.19 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine.
| Compound Name | 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine |
|---|---|
| PubChem CID | 162076865 |
| Molecular Formula | C94H122F3N27O3 |
| Molecular Weight | 1735.19 g/mol |
| Exact Mass | 1734.02 |
| IUPAC Name | 4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine |
| SMILES | Cc1cnc(Nc2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2OCCO3)nc1C(C)(C)C.Cc1cnc(Nc2cccc3c2cnn3C)nc1C(C)(C)C.Cc1cnc(Nc2ccnn2C)nc1C(C)(C)C.Cc1cnc(Nc2nn(C)c3ccccc23)nc1C(C)(C)C.Cn1nccc1Nc1ncc(C(F)(F)F)c(C(C)(C)C)n1 |
| InChI | InChI=1S/2C17H21N5.C17H24N4O.C17H21N3O2.C13H16F3N5.C13H19N5/c1-11-9-18-16(21-15(11)17(2,3)4)20-13-7-6-8-14-12(13)10-19-22(14)5;1-11-10-18-16(19-14(11)17(2,3)4)20-15-12-8-6-7-9-13(12)22(5)21-15;1-11(2)22-14-8-7-13(10-18-14)20-16-19-9-12(3)15(21-16)17(4,5)6;1-11-10-18-16(20-15(11)17(2,3)4)19-12-6-5-7-13-14(12)22-9-8-21-13;1-12(2,3)10-8(13(14,15)16)7-17-11(20-10)19-9-5-6-18-21(9)4;1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-10H,1-5H3,(H,18,20,21);6-10H,1-5H3,(H,18,19,20,21);7-11H,1-6H3,(H,19,20,21);5-7,10H,8-9H2,1-4H3,(H,18,19,20);5-7H,1-4H3,(H,17,19,20);6-8H,1-5H3,(H,14,16,17) |
| InChIKey | ZBUYEPSVEPVAGY-UHFFFAOYSA-N |
| XLogP | 20.86 |
| TPSA | 338.72 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 127 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1735.19 |
| LogP ≤ 5 | 20.86 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |