8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2674 |
| Compound Name: | 8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 303.29 |
| Molecular Formula: | C14 H14 F N5 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccc(cc3)F)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4736 |
| logD: | 1.4716 |
| logSw: | -1.953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.444 |
| InChI Key: | CSMNTDFTLDGXIC-UHFFFAOYSA-N |