Basic information
- CAS
349441-84-5- Standard SMILES
COc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC- InChIKey
OJEHSMNZHFKYLM-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.1375561
Names & identifiers
- Preferred name
- N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
Names & synonyms
N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamideOprea1_708628349441-84-5MLS000768496CHEMBL1417562DTXSID601330224HMS2795E05AKOS003752237SMR000431816N-(4,6-Dimethyl-pyrimidin-2-yl)-3,4,5-trimethoxy-benzamide
Database identifiers
- CAS
349441-84-5- PubChem CID
- 784191
- DTXSID
DTXSID601330224- ChEMBL
CHEMBL1417562
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility45.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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