9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1090 |
| Compound Name: | 9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | CC(C)CN1C(c2c(nc3N(CCCn23)c2cccc(C)c2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4811 |
| logD: | 4.4801 |
| logSw: | -4.2585 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.753 |
| InChI Key: | NHIFMKVNKXIIAL-UHFFFAOYSA-N |