1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5545 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C20 H19 F N6 O2 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(NCc1ccccn1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3391 |
| logD: | 2.3296 |
| logSw: | -2.6516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.434 |
| InChI Key: | BZXYYCKXQJQKFL-UHFFFAOYSA-N |