1,3-dimethyl-7-{3-[(1-methylpyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-7-{3-[(1-methylpyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-7-{3-[(1-methylpyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-2311 |
| Compound Name: | 1,3-dimethyl-7-{3-[(1-methylpyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 354.84 |
| Molecular Formula: | C15 H22 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1CCC\C1=N/CCCn1cnc2c1C(N(C)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0353 |
| logD: | -1.4729 |
| logSw: | -0.5074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.641 |
| InChI Key: | BDSDZHAVNRATMD-LFIBNONCSA-N |