9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0268 |
| Compound Name: | 9-(3,5-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1CCCn2c3C(NC(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1994 |
| logD: | 3.1981 |
| logSw: | -3.2985 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.734 |
| InChI Key: | BGBWUFPRLAEROT-UHFFFAOYSA-N |