1,3-dimethyl-7-(3-methylbutyl)-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(3-methylbutyl)-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(3-methylbutyl)-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4555-0205 |
| Compound Name: | 1,3-dimethyl-7-(3-methylbutyl)-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 305.38 |
| Molecular Formula: | C15 H23 N5 O2 |
| Smiles: | CC(C)CCn1c2C(N(C)C(N(C)c2nc1NCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8562 |
| logD: | 2.8558 |
| logSw: | -3.1656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.209 |
| InChI Key: | QOCLIZZHAAXPSZ-UHFFFAOYSA-N |