C105H120F15N33O15S2 — CID 159935756
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159935756) has the molecular formula C105H120F15N33O15S2 and a molecular weight of 2433.43 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
| Compound Name | 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 159935756 |
| Molecular Formula | C105H120F15N33O15S2 |
| Molecular Weight | 2433.43 g/mol |
| Exact Mass | 2431.88 |
| IUPAC Name | 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
| SMILES | NC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC4(CCCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(NC3CCOCC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1 |
| InChI | InChI=1S/C24H26F3N7O4S.C22H23F3N6O4S.C22H27F3N6O2.C19H22F3N7O3.C18H22F3N7O2/c25-24(26,27)19-13-21(28)29-15-18(19)20-14-22(32-23(31-20)33-4-8-37-9-5-33)30-16-2-1-3-17(12-16)39(35,36)34-6-10-38-11-7-34;23-22(24,25)17-11-19(26)27-13-16(17)18-12-20(30-21(29-18)31-4-7-35-8-5-31)28-14-2-1-3-15(10-14)36(33,34)9-6-32;23-22(24,25)16-11-18(26)27-13-15(16)17-12-19(29-20(28-17)30-5-8-32-9-6-30)31-7-10-33-21(14-31)3-1-2-4-21;20-19(21,22)12-7-15(23)25-9-11(12)13-8-16(29-3-6-32-14(10-29)17(24)30)27-18(26-13)28-1-4-31-5-2-28;19-18(20,21)15-12(10-23-16(22)27-15)13-9-14(24-11-1-5-29-6-2-11)26-17(25-13)28-3-7-30-8-4-28/h1-3,12-15H,4-11H2,(H2,28,29)(H,30,31,32);1-3,10-13,32H,4-9H2,(H2,26,27)(H,28,29,30);11-13H,1-10,14H2,(H2,26,27);7-9,14H,1-6,10H2,(H2,23,25)(H2,24,30);9-11H,1-8H2,(H2,22,23,27)(H,24,25,26) |
| InChIKey | OAFQJEZZNLXXMO-UHFFFAOYSA-N |
| XLogP | 10.98 |
| TPSA | 613.02 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2433.43 |
| LogP ≤ 5 | 10.98 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 46 |