C95H110F15N25O15S5 — CID 158769749
N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158769749) has the molecular formula C95H110F15N25O15S5 and a molecular weight of 2287.39 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
| Compound Name | N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 158769749 |
| Molecular Formula | C95H110F15N25O15S5 |
| Molecular Weight | 2287.39 g/mol |
| Exact Mass | 2285.70 |
| IUPAC Name | N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine |
| SMILES | CN(C)c1cc(C(F)(F)F)c(-c2cc(C3(S(C)(=O)=O)CC3)nc(N3CCOCC3)n2)cn1.CNc1cc(C(F)(F)F)c(-c2cc(C3(S(C)(=O)=O)CC3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C2(S(C)(=O)=O)CC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C2(S(C)(=O)=O)CC2)n1 |
| InChI | InChI=1S/C20H24F3N5O3S.3C19H22F3N5O3S.C18H20F3N5O3S/c1-27(2)17-10-14(20(21,22)23)13(12-24-17)15-11-16(19(4-5-19)32(3,29)30)26-18(25-15)28-6-8-31-9-7-28;1-23-16-9-13(19(20,21)22)12(11-24-16)14-10-15(18(3-4-18)31(2,28)29)26-17(25-14)27-5-7-30-8-6-27;2*1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22;1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h10-12H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3,(H,23,24);2*7-9,11H,3-6,10H2,1-2H3,(H2,23,24);8-10H,2-7H2,1H3,(H2,22,23)/t;;2*11-;/m..10./s1 |
| InChIKey | IPSFDOVLTZFURK-QAXXXNOQSA-N |
| XLogP | 11.77 |
| TPSA | 519.73 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 155 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2287.39 |
| LogP ≤ 5 | 11.77 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 40 |