3-benzyl-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-benzyl-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0199 |
| Compound Name: | 3-benzyl-9-(4-ethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | CCc1ccc(cc1)N1CCCn2c3C(N(Cc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8821 |
| logD: | 4.8814 |
| logSw: | -4.4767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.783 |
| InChI Key: | VGCYKVVKZOAYFX-UHFFFAOYSA-N |