1,3-dimethyl-7-{2-[(1-methylpyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-7-{2-[(1-methylpyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-7-{2-[(1-methylpyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-2251 |
| Compound Name: | 1,3-dimethyl-7-{2-[(1-methylpyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C14 H20 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1CCC\C1=N/CCn1cnc2c1C(N(C)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0487 |
| logD: | -3.8379 |
| logSw: | -0.4398 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.641 |
| InChI Key: | BZJLOYFGVSTGOZ-XNTDXEJSSA-N |