1-methyl-3-(3-methylbutyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-methyl-3-(3-methylbutyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1-methyl-3-(3-methylbutyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0811 |
| Compound Name: | 1-methyl-3-(3-methylbutyl)-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)CCN1C(c2c(nc3N(CCCn23)CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1355 |
| logD: | 4.1354 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.457 |
| InChI Key: | BFNFAGPSCUCHEE-UHFFFAOYSA-N |