8-[(2-aminoethyl)amino]-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
8-[(2-aminoethyl)amino]-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
8-[(2-aminoethyl)amino]-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D114-0037 |
| Compound Name: | 8-[(2-aminoethyl)amino]-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 364.83 |
| Molecular Formula: | C16 H20 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc(NCCN)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8049 |
| logD: | -2.4613 |
| logSw: | -1.7138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.159 |
| InChI Key: | LVQXUYWOPVUGME-UHFFFAOYSA-N |