8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3346-2741 |
| Compound Name: | 8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C21 H30 N6 O5 |
| Smiles: | CN(C)CCNc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(COc1ccc(cc1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8907 |
| logD: | -0.877 |
| logSw: | -2.4803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.488 |
| InChI Key: | XMLXKYSUFNEEHG-AWEZNQCLSA-N |