2-{[(3,4-dimethoxyphenyl)methyl]amino}-4-ethylpyrimidine-5-carboxylic acid
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-4-ethylpyrimidine-5-carboxylic acid
2-{[(3,4-dimethoxyphenyl)methyl]amino}-4-ethylpyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | S272-1742 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-4-ethylpyrimidine-5-carboxylic acid |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C16 H19 N3 O4 |
| Smiles: | CCc1c(cnc(NCc2ccc(c(c2)OC)OC)n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.953 |
| logD: | 0.8584 |
| logSw: | -2.4713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.635 |
| InChI Key: | XWDINNVIHKDDOS-UHFFFAOYSA-N |