9-(4-ethylphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-ethylphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-ethylphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0570 |
| Compound Name: | 9-(4-ethylphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | CCc1ccc(cc1)N1CC(C)Cn2c3C(N(CC(C)=C)C(N(C)c3nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8358 |
| logD: | 4.8357 |
| logSw: | -4.4412 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.921 |
| InChI Key: | GNWKWCXVSSIYQI-HNNXBMFYSA-N |