8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4555-0223 |
| Compound Name: | 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C18 H24 N6 O2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2NCCN(C)C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3687 |
| logD: | -0.3989 |
| logSw: | -2.8802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.739 |
| InChI Key: | DVOAFYACSHYASB-UHFFFAOYSA-N |