7-ethyl-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0543-0110 |
| Compound Name: | 7-ethyl-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 249.27 |
| Molecular Formula: | C11 H15 N5 O2 |
| Smiles: | CCn1c2C(NC(N(C)c2nc1NCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1431 |
| logD: | 1.1428 |
| logSw: | -2.0787 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.87 |
| InChI Key: | BKLNSXHOLVDRAC-UHFFFAOYSA-N |