7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperazin-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-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0097 |
| Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.56 |
| Molecular Formula: | C20 H28 N8 O2 S |
| Smiles: | Cc1cc(C)nc(n1)SCCn1c2C(N(C)C(N(C)c2nc1N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7602 |
| logD: | 0.155 |
| logSw: | -2.0918 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.059 |
| InChI Key: | ZLOAWMVCXZBIPZ-UHFFFAOYSA-N |