8-(benzylamino)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0543-0121 |
| Compound Name: | 8-(benzylamino)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 313.36 |
| Molecular Formula: | C16 H19 N5 O2 |
| Smiles: | CCCn1c2C(NC(N(C)c2nc1NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4426 |
| logD: | 2.4423 |
| logSw: | -2.8363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.01 |
| InChI Key: | WVGAJTIIUDRWDC-UHFFFAOYSA-N |