3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0031 |
| Compound Name: | 3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 249.27 |
| Molecular Formula: | C11 H15 N5 O2 |
| Smiles: | CN1C(NC(c2c1nc([nH]2)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9225 |
| logD: | 0.9224 |
| logSw: | -1.5329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.368 |
| InChI Key: | XTQWDGNHLSCWAX-UHFFFAOYSA-N |