1,3-dimethyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0053 |
| Compound Name: | 1,3-dimethyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C16 H25 N5 O2 |
| Smiles: | CCCCCn1c2C(N(C)C(N(C)c2nc1N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5656 |
| logD: | 3.5649 |
| logSw: | -3.3672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.313 |
| InChI Key: | VMXSCXSOFFUPAX-UHFFFAOYSA-N |