7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0081 |
| Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C21 H29 N7 O2 S |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CCSc1nc(C)cc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2725 |
| logD: | 3.2711 |
| logSw: | -3.2865 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.582 |
| InChI Key: | BNULIJUNCUMUHK-UHFFFAOYSA-N |