CAS 70227-51-9

2-(1,1-Dimethylethyl)-5-nitro-4-pyrimidinamine

Description:

2-(1,1-Dimethylethyl)-5-nitro-4-pyrimidinamine, with the CAS number 70227-51-9, is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms. This compound features a nitro group (-NO2) at the 5-position and a tert-butyl group (1,1-dimethylethyl) at the 2-position of the pyrimidine ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the nitro group suggests potential reactivity, particularly in electrophilic substitution reactions. Additionally, the tert-butyl group can influence the compound's steric hindrance and overall stability. This compound may be of interest in pharmaceutical research or as an intermediate in organic synthesis due to its structural characteristics. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.

Formula: C₈H₁₂N₄O₂

InChI: InChI=1S/C8H12N4O2/c1-8(2,3)7-10-4-5(12(13)14)6(9)11-7/h4H,1-3H3,(H2,9,10,11)

InChI key: InChIKey=MOCBBFTYJYQJRR-UHFFFAOYSA-N

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

Synonyms:

• 2-(1,1-Dimethylethyl)-5-nitro-4-pyrimidinamine
• 2-(tert-Butyl)-5-nitropyrimidin-4-amine
• 4-Pyrimidinamine, 2-(1,1-dimethylethyl)-5-nitro-
• 2-tert-Butyl-5-nitropyrimidin-4-amine