1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0878 |
| Compound Name: | 1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 313.36 |
| Molecular Formula: | C16 H19 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2NC)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8276 |
| logD: | 2.8272 |
| logSw: | -3.0799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.268 |
| InChI Key: | JOBMRCLCHLUQNQ-UHFFFAOYSA-N |