N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamide
Basic information
- CAS
303134-29-4- Standard SMILES
COc1cc(NC(=O)Cc2ccccc2)nc(OC)n1- InChIKey
KFZKBHLCFYRICJ-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamide
- IUPAC
- N-(2,6-dimethoxypyrimidin-4-yl)-2-phenylacetamide
- English name
- N-(2,6-Dimethoxy-4-pyrimidinyl)-2-phenylacetamide
- Molecular formula
- C14H15N3O3
- Molecular weight
- 273.29
Names & synonyms
N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamideOprea1_481578MLS001194705N-(2,6-dimethoxypyrimidin-4-yl)-2-phenylacetamideCHEMBL1707194HMS2868G20AKOS024412887SMR000554821EU-0069041AG-690/11664107N-(2,6-Dimethoxy-pyrimidin-4-yl)-2-phenyl-acetamideBenzeneacetamide, N-(2,6-dimethoxy-4-pyrimidinyl)-
Database identifiers
- CAS
303134-29-4- PubChem CID
- 749282
- ChEMBL
CHEMBL1707194- EC Number
- 134-040-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility>41 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.256 · 1.256±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.545 · 11.545±0.70(predicted)
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Compound notes
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