7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9057 |
| Compound Name: | 7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1CCO |
| Stereo: | ACHIRAL |
| logP: | 2.3529 |
| logD: | 2.3528 |
| logSw: | -2.7641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.43 |
| InChI Key: | HTPRPRUZYDJHHR-UHFFFAOYSA-N |