CAS 244768-47-6

Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, hydrochloride (1:1)

Description:

Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a pyrimidine ring substituted with an amino group. The presence of the hydrochloride indicates that it is a salt form, enhancing its solubility in water and making it suitable for various applications, particularly in pharmaceutical contexts. This compound is typically used in research and development, especially in the synthesis of biologically active molecules. Its molecular structure suggests potential interactions with biological targets, which may be explored for therapeutic purposes. The compound is likely to exhibit properties typical of amines and nitriles, such as basicity and potential reactivity under certain conditions. Safety data should be consulted for handling, as with any chemical, to ensure proper precautions are taken due to potential toxicity or reactivity. Overall, this compound represents a significant interest in medicinal chemistry and related fields.

Formula: C₂₀H₁₉N₅·ClH

InChI: InChI=1S/C20H19N5.ClH/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17;/h4-11H,1-3H3,(H2,22,23,24,25);1H

InChI key: InChIKey=RHIYZDNOTUMYCA-UHFFFAOYSA-N

SMILES: N(C1=C(C)C=C(C)C=C1C)C2=NC(NC3=CC=C(C#N)C=C3)=NC=C2.Cl

Synonyms:

• Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, hydrochloride (1:1)
• Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, monohydrochloride

Dapivirine HCl

CAS: 244768-47-6

Dapivirine HCl (TMC120) is a salt-based non-nucleoside HIV reverse transcriptase inhibitor with an IC50 of 24 nM, used in HIV-1 prevention.

Formula: C₂₀H₂₀ClN₅

Color and Shape: Solid

Molecular weight: 365.86

Ref: TM-T69627