9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0597 |
| Compound Name: | 9-(3,4-dimethylphenyl)-1,7-dimethyl-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C26 H27 N5 O3 |
| Smiles: | CC1CN(c2ccc(C)c(C)c2)c2nc3c(C(N(CC(c4ccccc4)=O)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7686 |
| logD: | 4.768 |
| logSw: | -4.5282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.896 |
| InChI Key: | APYIMHZSGVAFAG-INIZCTEOSA-N |