1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D012-0063 |
| Compound Name: | 1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 278.31 |
| Molecular Formula: | C12 H18 N6 O2 |
| Smiles: | CN1C(c2c(nc(N3CCNCC3)n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0532 |
| logD: | -2.4166 |
| logSw: | -0.4165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.74 |
| InChI Key: | CWQBJMULHKYRNB-UHFFFAOYSA-N |