C109H114ClN35O8 — CID 158837915
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane (PubChem CID 158837915) has the molecular formula C109H114ClN35O8 and a molecular weight of 2077.80 g/mol. Its IUPAC name is N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane.
| Compound Name | N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane |
|---|---|
| PubChem CID | 158837915 |
| Molecular Formula | C109H114ClN35O8 |
| Molecular Weight | 2077.80 g/mol |
| Exact Mass | 2075.93 |
| IUPAC Name | N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane |
| SMILES | C.CC(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.COc1ccc2ncc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cc2c1.N#Cc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1cc(Cl)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2cc(Nc3ccccc3N3CCOCC3)nc(N3CCOCC3)n2)cn1 |
| InChI | InChI=1S/C23H27N7O2.C22H20ClN7O.C22H22N8O2.C21H22N6O2.C20H19N7O.CH4/c24-21-6-5-17(16-25-21)19-15-22(28-23(27-19)30-9-13-32-14-10-30)26-18-3-1-2-4-20(18)29-7-11-31-12-8-29;23-17-10-20(24)26-13-16(17)19-11-21(29-22(28-19)30-5-7-31-8-6-30)27-15-9-14-3-1-2-4-18(14)25-12-15;1-31-17-2-3-18-14(9-17)8-16(13-24-18)27-20-10-19(15-11-25-21(23)26-12-15)28-22(29-20)30-4-6-32-7-5-30;1-14(28)15-3-2-4-17(11-15)24-20-12-18(16-5-6-19(22)23-13-16)25-21(26-20)27-7-9-29-10-8-27;21-12-14-1-4-16(5-2-14)24-19-11-17(15-3-6-18(22)23-13-15)25-20(26-19)27-7-9-28-10-8-27;/h1-6,15-16H,7-14H2,(H2,24,25)(H,26,27,28);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);2-3,8-13H,4-7H2,1H3,(H2,23,25,26)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,22,23)(H,24,25,26);1-6,11,13H,7-10H2,(H2,22,23)(H,24,25,26);1H4 |
| InChIKey | IXWGDWPUOZWCFI-UHFFFAOYSA-N |
| XLogP | 15.21 |
| TPSA | 547.18 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2077.80 |
| LogP ≤ 5 | 15.21 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 43 |