AG00ILM5

269055-15-4 | benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-

AG00ILM5

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CAS Number	269055-15-4
Catalog Number	AG00ILM5(AGN-PC-0R2TFW)
Chemical Name	benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
IUPAC Name	4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
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)
InChI Key	PYGWGZALEOIKDF-UHFFFAOYSA-N
MDL Number	MFCD09837879
Molecular Formula	C20H15BrN6O
Molecular Weight	435.2767
SMILES	NC1=C(C(=NC(=N1)NC1=CC=C(C=C1)C#N)OC1=C(C=C(C#N)C=C1C)C)Br
UNII	0C50HW4FO1
Synonyms	4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile, benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-, etravirine, Intelence, R165335, TMC 125, TMC-125, TMC125 cpd, Etravirine, 269055-15-4, Intelence, Etravirine (TMC125), TMC-125, TMC125, TMC 125, UNII-0C50HW4FO1, 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, R165335, C20H15BrN6O, R-165335, 0C50HW4FO1, CHEMBL308954, CHEBI:63589, Etravirine-d8, 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile, 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILE, Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-, 65B, Intelence(TM), DAPY deriv, 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile, 4-[6-amino-5-bromo-2-(4-cyanoanilino)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 (TN), Diaminopyrimidine deriv, etravirine;, Etravirine (JAN/USAN/INN), Etravirine [USAN:INN:BAN:JAN], etravirine-tmc125, R 165335, Etravine; Etravirine, R165335-TMC125, PubChem22565, 3m8p, TMC-125/R-165335, cc-89, AC1L4XC5, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile, SCHEMBL52691, CTK4I1392, DTXSID30181412, PYGWGZALEOIKDF-UHFFFAOYSA-N, HMS3651P20, ZINC602632, BCP03562, EBD13985, TMC 125;, TMC-125;, ABP001081, BDBM50103642, MFCD09837879, s3080, 4-({6-amino-5-bromo-2-[(4-, AKOS015896355, AC-8503, AN-6704, API0007220, BCP9000006, CM14420, CS-0435, DB06414, HE-0088, PB32778, RP17742, RTX-010809, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile, 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile, 394729-17-0, 4CA-0516, AK172046, BC004800, BC228657, HY-90005, SC-44935, ACM1142096067, ACM1189671484, BCP0726000193, AB0030712, DB-067700, ST1251359, AM20080899, cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-, FT-0658058, SW219570-1, X2931, B-1795, D04112, AB01566873_01, A818671, SR-01000944895, I06-1887, J-513179, R165335;, R165355;, SR-01000944895-1, 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile, 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile, 4-[[4-amino 5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]-amino]benzonitrile, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]-benzonitrile, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]-benzonitrile;, 4-[[6-amino-5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl benzonitrile, 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl) amino) pyrimidin-4-yl) oxy)-3, 5-dimethylbenzonitrile, 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]-2,3,5,6-tetradeuteriobenzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3, 5 Cdimethylbenzonitrile, 4-[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL]OXY-3,5-DIMETHYL-BENZONITRILE, 4-[6-azanyl-5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile, Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-, etravirin, dimethylbenzonitrile, Etravirine-13C3, TMC125 cpd, Etravirine [USAN:INN], D0BP9C, C20-H15-Br-N6-O, CID193962, ACN-037214, CS-O-01457, B2224, C451734, 4-[6-amino-5-bromo-2-[ amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile, ETR, ETV, 1142095-93-9,

Complexity	609
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	434.049g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	435.285g/mol
Monoisotopic Mass	434.049g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H413
Packing Group
Precautionary statements	P264-P270-P273-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number