CAS 85929-96-0

2-(1,1-Dimethylethyl)-5-pyrimidinol

Description:

2-(1,1-Dimethylethyl)-5-pyrimidinol, with the CAS number 85929-96-0, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a tert-butyl group (1,1-dimethylethyl) at the 2-position of the pyrimidinol, contributing to its hydrophobic characteristics and influencing its solubility in organic solvents. The presence of the hydroxyl group (-OH) at the 5-position imparts some polar characteristics, allowing for potential hydrogen bonding interactions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its stability and reactivity can be influenced by the electronic effects of the tert-butyl group and the nitrogen atoms in the ring. Overall, 2-(1,1-Dimethylethyl)-5-pyrimidinol is a versatile compound with applications in various fields, including medicinal chemistry and agrochemicals.

Formula: C₈H₁₂N₂O

InChI: InChI=1S/C8H12N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h4-5,11H,1-3H3

InChI key: InChIKey=JARZKOYAUVCWCZ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1N=CC(O)=CN1

Synonyms:

• 5-Pyrimidinol, 2-(1,1-dimethylethyl)-
• 2-tert-Butyl-5-pyrimidinol
• 2-tert-Butyl-5-hydroxypyrimidine
• 2-(1,1-Dimethylethyl)-5-pyrimidinol
• 2-(1,1-Dimethyl-ethyl)-5-hydroxypyrimidine