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CAS 3438-49-1

:

6-(1,1-Dimethylethyl)-4(3H)-pyrimidinone

Description:
6-(1,1-Dimethylethyl)-4(3H)-pyrimidinone, also known by its CAS number 3438-49-1, is an organic compound characterized by a pyrimidinone ring structure substituted with a tert-butyl group at the 6-position. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. Its molecular structure features a six-membered aromatic ring containing nitrogen atoms, which contributes to its potential biological activity. The presence of the tert-butyl group enhances its lipophilicity, influencing its interaction with biological membranes and potentially affecting its pharmacokinetic properties. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in drug development and as a building block in synthetic organic chemistry. Its stability and reactivity can be influenced by the functional groups present, making it a versatile compound for further chemical modifications.
Formula:C8H12N2O
InChI:InChI=1S/C8H12N2O/c1-8(2,3)6-4-7(11)10-5-9-6/h4-5H,1-3H3,(H,9,10,11)
InChI key:InChIKey=HPQRLELYJOCYDQ-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=CC(=O)N=CN1
Synonyms:
  • 4-Pyrimidinol, 6-tert-butyl-
  • 4-tert-Butyl-6-pyrimidinone
  • 6-(1,1-Dimethylethyl)-4(3H)-pyrimidinone
  • 4(3H)-Pyrimidinone, 6-(1,1-dimethylethyl)-
  • 4(1H)-Pyrimidinone, 6-(1,1-dimethylethyl)-
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