8-(4-methoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-methoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-methoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-3481 |
| Compound Name: | 8-(4-methoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C14 H15 N5 O3 |
| Smiles: | CN1C(c2c(nc(Nc3ccc(cc3)OC)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9486 |
| logD: | 1.9419 |
| logSw: | -2.5637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.665 |
| InChI Key: | RICCWHOMSSUHEU-UHFFFAOYSA-N |