8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-0880 |
| Compound Name: | 8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C20 H22 F N9 O2 S |
| Smiles: | CN(C)c1nc(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2F)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2278 |
| logD: | 3.2234 |
| logSw: | -3.3433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.069 |
| InChI Key: | MWHHTFVGQMSCKQ-UHFFFAOYSA-N |