1-methyl-9-(4-methylphenyl)-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-methyl-9-(4-methylphenyl)-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1-methyl-9-(4-methylphenyl)-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D389-0056 |
Compound Name: | 1-methyl-9-(4-methylphenyl)-3-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
Molecular Weight: | 429.48 |
Molecular Formula: | C24 H23 N5 O3 |
Smiles: | Cc1ccc(cc1)N1CCCn2c3C(N(CC(c4ccccc4)=O)C(N(C)c3nc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6193 |
logD: | 3.619 |
logSw: | -3.5791 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 58.03 |
InChI Key: | JYZSKDQUXLWXAP-UHFFFAOYSA-N |