2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(methoxymethyl)pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(methoxymethyl)pyrimidine-5-carboxylic acid
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(methoxymethyl)pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | S272-1960 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(methoxymethyl)pyrimidine-5-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | COCc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4585 |
| logD: | -0.7901 |
| logSw: | -2.0884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.913 |
| InChI Key: | PXSOCGMGCCFISF-UHFFFAOYSA-N |