1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0433 |
| Compound Name: | 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1999 |
| logD: | 3.1998 |
| logSw: | -3.1158 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.501 |
| InChI Key: | SHAWBTAHDPCTNC-OAHLLOKOSA-N |