8-hydroxy-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-hydroxy-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
8-hydroxy-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0196 |
| Compound Name: | 8-hydroxy-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 236.23 |
| Molecular Formula: | C10 H12 N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CC=C)O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6715 |
| logD: | -1.899 |
| logSw: | -0.5377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.067 |
| InChI Key: | VYKDJUXSPFXKFJ-UHFFFAOYSA-N |