1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0005 |
| Compound Name: | 1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.41 |
| Molecular Formula: | C21 H19 F3 N6 O2 |
| Smiles: | CN1C(c2c(nc(NCc3cccnc3)n2Cc2cccc(c2)C(F)(F)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0938 |
| logD: | 3.0588 |
| logSw: | -3.0838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.364 |
| InChI Key: | PQUUMFBNVFTRNU-UHFFFAOYSA-N |