3-(but-2-en-1-yl)-9-(2,3-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(but-2-en-1-yl)-9-(2,3-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
3-(but-2-en-1-yl)-9-(2,3-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1094 |
| Compound Name: | 3-(but-2-en-1-yl)-9-(2,3-dimethylphenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | C/C=C/CN1C(c2c(nc3N(CCCn23)c2cccc(C)c2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3326 |
| logD: | 4.3282 |
| logSw: | -4.2944 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.732 |
| InChI Key: | BSEXPLICRAIEFO-UHFFFAOYSA-N |