CAS 1803596-86-2

2-[Bis(1-methylethyl)amino]-4,6-dichloro-5-pyrimidinecarboxylic acid

Description:

2-[Bis(1-methylethyl)amino]-4,6-dichloro-5-pyrimidinecarboxylic acid is a chemical compound characterized by its pyrimidine core, which is substituted at the 4 and 6 positions with chlorine atoms, and at the 5 position with a carboxylic acid group. The presence of the bis(1-methylethyl)amino group indicates that the compound has two isopropyl groups attached to a nitrogen atom, contributing to its basicity and potential for forming hydrogen bonds. This structure suggests that the compound may exhibit both hydrophilic and hydrophobic characteristics, influencing its solubility and reactivity. The dichloro substitutions may enhance its biological activity or stability, making it of interest in pharmaceutical applications. Additionally, the carboxylic acid functionality can participate in various chemical reactions, such as esterification or amidation. Overall, this compound's unique structural features may confer specific properties that could be exploited in medicinal chemistry or agrochemical formulations.

Formula: C₁₁H₁₅Cl₂N₃O₂

InChI: InChI=1S/C11H15Cl2N3O2/c1-5(2)16(6(3)4)11-14-8(12)7(10(17)18)9(13)15-11/h5-6H,1-4H3,(H,17,18)

InChI key: InChIKey=PLZNSPAYIDLWRE-UHFFFAOYSA-N

SMILES: N(C(C)C)(C(C)C)C=1N=C(Cl)C(C(O)=O)=C(Cl)N1

Synonyms:

• 5-Pyrimidinecarboxylic acid, 2-[bis(1-methylethyl)amino]-4,6-dichloro-
• 2-[Bis(1-methylethyl)amino]-4,6-dichloro-5-pyrimidinecarboxylic acid

2-[Bis(propan-2-yl)amino]-4,6-dichloropyrimidine-5-carboxylic acid

CAS: 1803596-86-2

Versatile small molecule scaffold

Formula: C₁₁H₁₅Cl₂N₃O₂

Purity: Min. 95%

Molecular weight: 292.16 g/mol

Ref: 3D-DXC59686