C139H203N27O14 — CID 157278746
1-amino-3-[3-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)phenoxy]propan-2-ol;1-[3-[6-(cyclohexylamino)-2-(propan-2-ylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(dimethylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-propan-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-prop-1-en-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[2-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 157278746) has the molecular formula C139H203N27O14 and a molecular weight of 2476.33 g/mol. Its IUPAC name is 1-amino-3-[3-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)phenoxy]propan-2-ol;1-[3-[6-(cyclohexylamino)-2-(propan-2-ylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(dimethylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-propan-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-prop-1-en-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[2-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol.
| Compound Name | 1-amino-3-[3-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)phenoxy]propan-2-ol;1-[3-[6-(cyclohexylamino)-2-(propan-2-ylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(dimethylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-propan-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-prop-1-en-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[2-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol |
|---|---|
| PubChem CID | 157278746 |
| Molecular Formula | C139H203N27O14 |
| Molecular Weight | 2476.33 g/mol |
| Exact Mass | 2474.60 |
| IUPAC Name | 1-amino-3-[3-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)phenoxy]propan-2-ol;1-[3-[6-(cyclohexylamino)-2-(propan-2-ylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-(dimethylamino)pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-propan-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[6-[cyclohexyl(methyl)amino]-2-prop-1-en-2-ylpyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[2-cyclopropyl-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]phenoxy]-3-(methylamino)propan-2-ol |
| SMILES | C=C(C)c1nc(-c2cccc(OCC(O)CNC)c2)cc(N(C)C2CCCCC2)n1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(C(C)C)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCCCC3)nc(N(C)C)n2)c1.CNCC(O)COc1cccc(-c2cc(N(C)C3CCOCC3)nc(C3CC3)n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCCCC3)nc(NC(C)C)n2)c1.NCC(O)COc1cccc(-c2cc(N3CCCCC3)nc(N3CCOCC3)n2)c1 |
| InChI | InChI=1S/C24H36N4O2.C24H34N4O2.2C23H35N5O2.C23H32N4O3.C22H31N5O3/c2*1-17(2)24-26-22(14-23(27-24)28(4)19-10-6-5-7-11-19)18-9-8-12-21(13-18)30-16-20(29)15-25-3;1-24-15-19(29)16-30-20-12-8-9-17(13-20)21-14-22(26-23(25-21)27(2)3)28(4)18-10-6-5-7-11-18;1-16(2)25-23-27-21(13-22(28-23)26-18-9-5-4-6-10-18)17-8-7-11-20(12-17)30-15-19(29)14-24-3;1-24-14-19(28)15-30-20-5-3-4-17(12-20)21-13-22(26-23(25-21)16-6-7-16)27(2)18-8-10-29-11-9-18;23-15-18(28)16-30-19-6-4-5-17(13-19)20-14-21(26-7-2-1-3-8-26)25-22(24-20)27-9-11-29-12-10-27/h8-9,12-14,17,19-20,25,29H,5-7,10-11,15-16H2,1-4H3;8-9,12-14,19-20,25,29H,1,5-7,10-11,15-16H2,2-4H3;8-9,12-14,18-19,24,29H,5-7,10-11,15-16H2,1-4H3;7-8,11-13,16,18-19,24,29H,4-6,9-10,14-15H2,1-3H3,(H2,25,26,27,28);3-5,12-13,16,18-19,24,28H,6-11,14-15H2,1-2H3;4-6,13-14,18,28H,1-3,7-12,15-16,23H2 |
| InChIKey | AZKIGUXAPRQQLW-UHFFFAOYSA-N |
| XLogP | 18.77 |
| TPSA | 482.81 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2476.33 |
| LogP ≤ 5 | 18.77 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 41 |