C112H126ClF6N45O11 — CID 158198410
6-(2-amino-4-methylpyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-methylpyrimidin-2-amine;methane;5-[6-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine;4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 158198410) has the molecular formula C112H126ClF6N45O11 and a molecular weight of 2427.98 g/mol. Its IUPAC name is 6-(2-amino-4-methylpyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-methylpyrimidin-2-amine;methane;5-[6-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine;4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrimidin-2-amine.
| Compound Name | 6-(2-amino-4-methylpyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-methylpyrimidin-2-amine;methane;5-[6-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine;4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrimidin-2-amine |
|---|---|
| PubChem CID | 158198410 |
| Molecular Formula | C112H126ClF6N45O11 |
| Molecular Weight | 2427.98 g/mol |
| Exact Mass | 2426.03 |
| IUPAC Name | 6-(2-amino-4-methylpyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-methylpyrimidin-2-amine;methane;5-[6-(5-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine;4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrimidin-2-amine |
| SMILES | C.COc1ccc(Nc2cc(-c3cnc(N)nc3C)nc(N3CCOCC3)n2)cn1.COc1cncc(-c2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)c1.Cc1nc(N)ncc1-c1cc(Cl)nc(N2CCOCC2)n1.Cc1nc(N)ncc1-c1cc(Nc2ccc3c(c2)OCCO3)nc(N2CCOCC2)n1.Cc1nc(N)ncc1-c1ccnc(N2CCOCC2)n1.Nc1ccc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)cn1.Nc1ncc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)cn1 |
| InChI | InChI=1S/C21H23N7O3.C19H22N8O2.C18H19N7O2.C14H14F3N5O.C13H15ClN6O.C13H13F3N6O.C13H16N6O.CH4/c1-13-15(12-23-20(22)24-13)16-11-19(27-21(26-16)28-4-6-29-7-5-28)25-14-2-3-17-18(10-14)31-9-8-30-17;1-12-14(11-22-18(20)23-12)15-9-16(24-13-3-4-17(28-2)21-10-13)26-19(25-15)27-5-7-29-8-6-27;1-26-14-6-12(8-20-11-14)15-7-16(13-9-21-17(19)22-10-13)24-18(23-15)25-2-4-27-5-3-25;15-14(16,17)10-8-20-13(22-3-5-23-6-4-22)21-12(10)9-1-2-11(18)19-7-9;1-8-9(7-16-12(15)17-8)10-6-11(14)19-13(18-10)20-2-4-21-5-3-20;14-13(15,16)9-7-20-12(22-1-3-23-4-2-22)21-10(9)8-5-18-11(17)19-6-8;1-9-10(8-16-12(14)17-9)11-2-3-15-13(18-11)19-4-6-20-7-5-19;/h2-3,10-12H,4-9H2,1H3,(H2,22,23,24)(H,25,26,27);3-4,9-11H,5-8H2,1-2H3,(H2,20,22,23)(H,24,25,26);6-11H,2-5H2,1H3,(H2,19,21,22);1-2,7-8H,3-6H2,(H2,18,19);6-7H,2-5H2,1H3,(H2,15,16,17);5-7H,1-4H2,(H2,17,18,19);2-3,8H,4-7H2,1H3,(H2,14,16,17);1H4 |
| InChIKey | GAPWCEVETGXPKN-UHFFFAOYSA-N |
| XLogP | 11.37 |
| TPSA | 704.22 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2427.98 |
| LogP ≤ 5 | 11.37 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 56 |