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CAS 42351-88-2

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2-tert-butylpyrimidin-4(3H)-one

Description:
2-tert-Butylpyrimidin-4(3H)-one is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a tert-butyl group and a carbonyl group at the 4-position. This compound typically exhibits a solid state at room temperature and is soluble in polar organic solvents. Its molecular structure contributes to its potential biological activity, making it of interest in medicinal chemistry. The presence of the tert-butyl group enhances lipophilicity, which can influence its pharmacokinetic properties. Additionally, the carbonyl group can participate in hydrogen bonding, affecting its reactivity and interactions with other molecules. 2-tert-Butylpyrimidin-4(3H)-one may also exhibit various functional properties, including potential use as a building block in organic synthesis or as a ligand in coordination chemistry. Its stability and reactivity can vary depending on the conditions, such as pH and temperature, making it a versatile compound in research and industrial applications.
Formula:C8H12N2O
InChI:InChI=1/C8H12N2O/c1-8(2,3)7-9-5-4-6(11)10-7/h4-5H,1-3H3,(H,9,10,11)
SMILES:CC(C)(C)c1nccc(n1)O
Synonyms:
  • 2-tert-Butylpyrimidin-4-ol
  • 4-Pyrimidinol, 2-(1,1-Dimethylethyl)-
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