Cas no 394729-17-0 (4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile)

4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile structure
394729-17-0 structure
Product Name:4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CAS No:394729-17-0
MF:C20H15BrN6O
MW:435.276702165604
CID:924618
PubChem ID:193962
Update Time:2025-04-19

4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
    • Benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-
    • Intelence
    • Unii-0C50hw4fo1
    • IntelenceBenzonitrile
    • HE-0088
    • HMS3651P20
    • DB-262849
    • 4-[6-azanyl-5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile
    • Etravirina
    • BCP9000006
    • SR-01000944895-1
    • CHEMBL308954
    • 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile
    • 4-[[4-amino 5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile
    • D04112
    • GLXC-04866
    • J05AG04
    • ETRAVIRINE [MI]
    • AC-8503
    • 4-({6-amino-5-bromo-2-[(4-
    • Etravirine-d8
    • R165335-TMC125
    • CCG-269074
    • ETRAVIRINE [JAN]
    • 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
    • ETRAVIRINE [VANDF]
    • 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3, 5-dimethylbenzonitrile
    • 4-[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl ]oxy-3,5-dimethyl-benzonitrile
    • 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILE
    • 65B
    • NCGC00345885-02
    • DAPY deriv
    • A818671
    • 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile
    • ETRAVIRINE [MART.]
    • 4-[[6-amino-5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
    • 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
    • GTPL12675
    • DTXSID30181412
    • Etravirine [USAN:INN:BAN:JAN]
    • 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile
    • 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile
    • 3m8p
    • TMC 125
    • 394729-17-0
    • 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
    • Intelence(TM)
    • ETRAVIRINE (MART.)
    • Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
    • PB32778
    • SW219570-1
    • DB-067700
    • 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
    • TMC125
    • BCP03562
    • s3080
    • BCP0726000193
    • DB06414
    • NS00008301
    • 4-((6-amino-5-bromo-2-((4-cyanophenyl) amino) pyrimidin-4-yl) oxy)-3, 5-dimethylbenzonitrile
    • 269055-15-4
    • AB01566873_01
    • ETRAVIRINE [WHO-DD]
    • cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-
    • 1142096-06-7
    • SR-01000944895
    • Etravirine
    • Etravirine (JAN/USAN/INN)
    • MFCD09837879
    • 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
    • CS-0435
    • Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
    • NCGC00345885-04
    • Etravirine- Bio-X
    • R-165335
    • A26965
    • EX-A4282
    • R165335
    • 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
    • 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
    • ETRAVIRINE [USAN]
    • AKOS015896355
    • Etravirine (TMC125)
    • HY-90005
    • R 165335
    • 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]-amino]benzonitrile
    • SCHEMBL52691
    • Etravirine [INN]
    • SY097013
    • TMC125 cpd
    • BA164437
    • CHEBI:63589
    • DTXCID40103903
    • BDBM50103642
    • Intelence (TN)
    • Q414762
    • 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl -benzonitrile
    • PYGWGZALEOIKDF-UHFFFAOYSA-N
    • Diaminopyrimidine deriv
    • Etravine; Etravirine
    • etravirinum
    • J-513179
    • 0C50HW4FO1
    • TMC-125/R-165335
    • AM20080899
    • ETRAVIRINE [ORANGE BOOK]
    • TMC-125
    • EN300-23542752
    • ETRAVIRINE [EMA EPAR]
    • 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)
    • InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC(C)=C(OC2C(Br)=C(N)N=C(NC3=CC=C(C#N)C=C3)N=2)C(C)=C1

Computed Properties

  • Exact Mass: 434.04907g/mol
  • Monoisotopic Mass: 434.04907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 609
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 121?2

4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Related Literature

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