7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0082 |
| Compound Name: | 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C18 H23 N7 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCCn1c2C(NC(N(C)c2nc1N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.368 |
| logD: | 1.3679 |
| logSw: | -2.4306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.404 |
| InChI Key: | AQXUVCJBXCBVJK-UHFFFAOYSA-N |