4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile | CAS No. 269055-15-4

4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile

Basic Information

CAS Number

269055-15-4

Molecular Formula

C20H15BrN6O

Molecular Weight

435.3 g/mol

AD

Basic Physical Properties

Melting Point

246-251 °C

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)

InChIKey

PYGWGZALEOIKDF-UHFFFAOYSA-N

LogP

5.37156

Complexity

609

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对热、光线敏感

Synonyms & References

English

  • AM20080899
  • NS00008301
  • SR-01000944895-1
  • 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
  • etravirinum
  • s3080
  • J-513179
  • PB32778
  • 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile
  • Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
  • Etravirina
  • MFCD09837879
  • ETRAVIRINE [JAN]
  • Etravirine (TMC125)
  • ETRAVIRINE [MART.]
  • BCP9000006
  • BCP03562
  • TMC 125
  • 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
  • Etravirine-d8
  • R 165335
  • 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILE
  • UNII-0C50HW4FO1
  • DTXSID30181412
  • ETRAVIRINE [ORANGE BOOK]
  • SCHEMBL52691
  • 4-[[6-amino-5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • NCGC00345885-02
  • FT-0668443
  • R-165335
  • Etravine; Etravirine

MDL Number

MFCD09837879

FAQ

What is 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile (CAS: 269055-15-4)?

4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile (CAS: 269055-15-4) is a complex organic compound containing a benzonitrile core with substituents including a pyrimidine ring functionalized with amino, bromo, and cyanophenylamino groups. It exhibits chemical stability under standard conditions and is characterized by its aromatic structure and potential for pharmaceutical applications due to its multifunctional groups.

What are the main uses of 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile (CAS: 269055-15-4)?

This compound is primarily used in pharmaceutical research as a potential drug candidate or intermediate for developing treatments targeting metabolic disorders. It may also serve in industrial applications involving chemical synthesis or as a research tool for studying molecular interactions due to its unique structural features and reactivity.

Is 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile (CAS: 269055-15-4) safe?

Safety considerations for this compound include potential toxicity due to its bromo and nitrile functionalities. It should be handled with appropriate protective measures, such as gloves, goggles, and ventilation, and stored in compliance with safety standards. Always follow guidelines from regulatory agencies like OSHA for chemical exposure and disposal.

How should 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile (CAS: 269055-15-4) be stored?

Store this compound in a cool, dry place away from light in a sealed, airtight container. Maintain stability by controlling temperature (ideally 2-8°C) and humidity levels. Avoid exposure to moisture and incompatible substances to preserve its chemical integrity and ensure safe handling.

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