7-(2,3-dihydroxypropyl)-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2,3-dihydroxypropyl)-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-(2,3-dihydroxypropyl)-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0026 |
| Compound Name: | 7-(2,3-dihydroxypropyl)-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 295.3 |
| Molecular Formula: | C12 H17 N5 O4 |
| Smiles: | CN1C(NC(c2c1nc(NCC=C)n2CC(CO)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3888 |
| logD: | -0.389 |
| logSw: | -1.2812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.88 |
| InChI Key: | NKAZPPULGJTBBY-ZETCQYMHSA-N |