9-(4-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0080 |
| Compound Name: | 9-(4-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CC(C)CCN1C(c2c(nc3N(CCCn23)c2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9655 |
| logD: | 3.9654 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.576 |
| InChI Key: | BCUHNLLJQOPKJC-UHFFFAOYSA-N |