C120H136F15N35O11 — CID 158779723
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158779723) has the molecular formula C120H136F15N35O11 and a molecular weight of 2529.61 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
| Compound Name | 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 158779723 |
| Molecular Formula | C120H136F15N35O11 |
| Molecular Weight | 2529.61 g/mol |
| Exact Mass | 2528.09 |
| IUPAC Name | 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
| SMILES | CC(C)N1CCC(Oc2cncc(-c3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)c2)CC1.CC(C)N1CC[C@@H](Oc2ccc(Nc3cc(-c4cnc(N)cc4C(F)(F)F)nc(N4CCOCC4)n3)cn2)C1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1 |
| InChI | InChI=1S/C27H32F3N7O2.C26H31F3N8O2.C26H27F3N6O3.C24H26F3N7O2.C17H20F3N7O2/c1-17(2)36-5-3-19(4-6-36)39-20-11-18(14-32-15-20)23-13-24(35-26(34-23)37-7-9-38-10-8-37)21-16-33-25(31)12-22(21)27(28,29)30;1-16(2)37-6-5-18(15-37)39-24-4-3-17(13-32-24)33-23-12-21(34-25(35-23)36-7-9-38-10-8-36)19-14-31-22(30)11-20(19)26(27,28)29;27-26(28,29)20-14-22(30)31-16-19(20)21-15-23(33-25(32-21)35-10-12-37-13-11-35)38-18-6-8-34(9-7-18)24(36)17-4-2-1-3-5-17;25-24(26,27)19-10-22(28)31-14-18(19)21-11-20(32-23(33-21)34-5-7-35-8-6-34)15-9-17(13-30-12-15)36-16-1-3-29-4-2-16;18-17(19,20)14-11(10-22-15(21)25-14)12-9-13(26-1-5-28-6-2-26)24-16(23-12)27-3-7-29-8-4-27/h11-17,19H,3-10H2,1-2H3,(H2,31,33);3-4,11-14,16,18H,5-10,15H2,1-2H3,(H2,30,31)(H,33,34,35);1-5,14-16,18H,6-13H2,(H2,30,31);9-14,16,29H,1-8H2,(H2,28,31);9-10H,1-8H2,(H2,21,22,25)/t;18-;;;/m.1.../s1 |
| InChIKey | IQXOFRUGSNBZHI-OEGAAENXSA-N |
| XLogP | 16.30 |
| TPSA | 537.60 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2529.61 |
| LogP ≤ 5 | 16.30 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 45 |