7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0002 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C20 H19 F N6 O2 |
| Smiles: | CN1C(c2c(nc(NCc3cccnc3)n2Cc2ccccc2F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.615 |
| logD: | 2.5801 |
| logSw: | -2.4857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.364 |
| InChI Key: | MZUVJGNHABNGMZ-UHFFFAOYSA-N |