Cas no 394729-17-0 (4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile)
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
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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