Cas no 269055-04-1 (Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-)
![Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/269500/269055-04-1x500.png)
269055-04-1 structure
Product Name:Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
CAS No:269055-04-1
MF:C20H14BrN5O
MW:420.262062549591
CID:1428917
PubChem ID:486382
Update Time:2025-04-20
Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- R-157753
- Benzonitrile, 4-((5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-
- SCHEMBL1181947
- 4-[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
- Etravirine impurity 5
- 269055-04-1
- 4-{5-Bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yloxy}-3,5-dimethylbenzenecarbonitrile
- P6MT568GMV
- 4-((5-Bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethylbenzonitrile
- CHEMBL439757
- UNII-P6MT568GMV
-
- Inchi： 1S/C20H14BrN5O/c1-12-7-15(10-23)8-13(2)18(12)27-19-17(21)11-24-20(26-19)25-16-5-3-14(9-22)4-6-16/h3-8,11H,1-2H3,(H,24,25,26)
- InChI Key： GNELAKVSOPMFKN-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(N=C1OC1C(C)=CC(C#N)=CC=1C)NC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 419.03832
- Monoisotopic Mass: 419.03817g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 578
- 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: 4.8
- Topological Polar Surface Area: 94.6?2
Experimental Properties
- PSA: 94.62
Benzonitrile,4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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