8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-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)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-4905 |
| Compound Name: | 8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 521.52 |
| Molecular Formula: | C21 H22 F3 N9 O2 S |
| Smiles: | CN(C)c1nc(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2cccc(c2)C(F)(F)F)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7065 |
| logD: | 3.7021 |
| logSw: | -4.1388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.069 |
| InChI Key: | KMKCADSNXHQOCN-UHFFFAOYSA-N |