2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 7399-0155 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | CC1=CC(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.253 |
| logD: | -0.1555 |
| logSw: | -2.2186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.412 |
| InChI Key: | MLPAGJMOIKIIJJ-UHFFFAOYSA-N |