4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile

Basic Information

View in Editor

CAS Number

244767-67-7

Molecular Formula

C20H19N5

Molecular Weight

329.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

557.9°C at 760 mmHg

Solubility

Insuluble (1.5E-4 g/L) (25 ºC),

SMILES

View in Editor

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H19N5/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)

InChIKey

ILAYIAGXTHKHNT-UHFFFAOYSA-N

LogP

4.90668

Complexity

452

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AKOS016513117
R147681
244767-67-7
DTXSID40179244
SB16698
D11246
TMC120
4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Dapivirine [INN]
FT-0665472
AC-30627
HY-14266
s2914
TMC-120/R-147681
TMC-120
CCG-267802
4-((4-((2,4,6-Trimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile
Dapivirine (TMC120)
HMS3651J10
C20H19N5
Ring-004
TMC120;R147681
EX-A115
AIDS-105293
TMC 120
4-(4-(mesitylamino)pyrimidin-2-ylamino)benzonitrile
4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE
NS00068137
4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
TMC120-R147681
TCN4MG2VXS

MDL Number

MFCD09833899

FAQ

What regulatory guidelines apply to 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7)?

The compound 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) is classified according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes health, environmental, and physical hazards. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) and may be subject to FDA and EPA regulations in the United States. Proper labelling, storage, and handling are required to comply with these regulations.

Are there alternatives to 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) in synthesis?

In synthesis, alternatives to 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) include related analogs like 4-{[4-(Methylamino)-2-pyrimidinyl]amino}benzonitrile and similar compounds. Substitutes can also involve other pyrimidine derivatives or amine functional groups, depending on the specific application and desired properties.

What is the market or research trend for 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7)?

The market and research trends for 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) are focused on its potential use in pharmaceuticals and agrochemicals due to its unique chemical structure. Recent studies are exploring its biological activity and synthetic methods, with a growing emphasis on sustainable and efficient synthesis techniques.

How should waste containing 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) be handled?

Waste containing 4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile (CAS: 244767-67-7) should be collected in appropriate containers and stored securely to prevent spills or leaks. It should be disposed of through professional waste disposal services to ensure environmental safety. Special precautions should be taken to prevent exposure and ensure compliance with local regulations on hazardous waste management.