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 |