9-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-1032 |
| Compound Name: | 9-(3-chloro-4-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 403.87 |
| Molecular Formula: | C19 H22 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(CCCO)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1141 |
| logD: | 3.114 |
| logSw: | -3.0858 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.688 |
| InChI Key: | ZSJXHERHHNVWSF-UHFFFAOYSA-N |