3-methyl-8-(4-methylpiperazin-1-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-(4-methylpiperazin-1-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-(4-methylpiperazin-1-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0106 |
| Compound Name: | 3-methyl-8-(4-methylpiperazin-1-yl)-7-{3-[(pyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C18 H24 N8 O2 S |
| Smiles: | CN1CCN(CC1)c1nc2c(C(NC(N2C)=O)=O)n1CCCSc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.1152 |
| logD: | -0.49 |
| logSw: | -2.3199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.224 |
| InChI Key: | KMHLYRJSKVIOFC-UHFFFAOYSA-N |