3-methyl-7-[(3-methylphenyl)methyl]-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-[(3-methylphenyl)methyl]-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-[(3-methylphenyl)methyl]-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0944 |
| Compound Name: | 3-methyl-7-[(3-methylphenyl)methyl]-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2NCC=C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9538 |
| logD: | 2.9537 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.873 |
| InChI Key: | XNSVZGWHOCXOMJ-UHFFFAOYSA-N |