C102H103F2N23O8S2 — CID 167667517
[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 167667517) has the molecular formula C102H103F2N23O8S2 and a molecular weight of 1881.23 g/mol. Its IUPAC name is [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine.
| Compound Name | [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine |
|---|---|
| PubChem CID | 167667517 |
| Molecular Formula | C102H103F2N23O8S2 |
| Molecular Weight | 1881.23 g/mol |
| Exact Mass | 1879.78 |
| IUPAC Name | [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine |
| SMILES | Cc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)n2)cn1.Cc1ncc(-c2cc(N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2)cn1.Nc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(C(F)(F)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)cn1 |
| InChI | InChI=1S/C21H21F2N5.C21H21N5O.C20H21N5O.2C20H20N4O3S/c22-21(23,16-7-3-1-4-8-16)17-11-18(15-13-25-20(24)26-14-15)27-19(12-17)28-9-5-2-6-10-28;22-21-23-13-17(14-24-21)18-11-16(20(27)15-7-3-1-4-8-15)12-19(25-18)26-9-5-2-6-10-26;21-20-22-13-15(14-23-20)18-11-17(26-16-7-3-1-4-8-16)12-19(24-18)25-9-5-2-6-10-25;1-15-21-13-16(14-22-15)19-11-17(24-7-9-27-10-8-24)12-20(23-19)28(25,26)18-5-3-2-4-6-18;1-15-21-13-17(14-22-15)16-11-19(24-7-9-27-10-8-24)23-20(12-16)28(25,26)18-5-3-2-4-6-18/h1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,24,25,26);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,22,23,24);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,21,22,23);2*2-6,11-14H,7-10H2,1H3 |
| InChIKey | SVWRNGQEXBJQHN-UHFFFAOYSA-N |
| XLogP | 16.53 |
| TPSA | 400.65 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1881.23 |
| LogP ≤ 5 | 16.53 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 31 |