AG002O9Y

244767-67-7 | 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile

AG002O9Y

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CAS Number	244767-67-7
Catalog Number	AG002O9Y(AGN-PC-09M8YT)
Chemical Name	4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
IUPAC Name	4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
InChI	InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)
InChI Key	ILAYIAGXTHKHNT-UHFFFAOYSA-N
MDL Number	MFCD09833899
Molecular Formula	C20H19N5
Molecular Weight	329.3984
SMILES	N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C
UNII	TCN4MG2VXS
Synonyms	Dapivirine, R 147681, R-147681, TMC 120, TMC-120, TMC120-R147681, Dapivirine, 244767-67-7, TMC-120, Dapivirine (TMC120), TMC120, TMC 120, UNII-TCN4MG2VXS, R 147681, TMC120-R147681, R147681, TCN4MG2VXS, 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile, Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, R-147681, 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE, AK326148, 4-((4-(mesitylamino)pyrimidin-2-yl)amino)benzonitrile, dapivirinum, 4-((4-((2,4,6-Trimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile, 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile, Dapivirine [USAN:INN], GEL-002, DapivirineTMC-120, Dapivirine,tmc-120, Dapivirine(TMC120), TMC-120/R-147681, Ring-004, Dapivirine intravaginal ring, AC1L4WO4, AC1Q4RF3, CHEMBL70663, SCHEMBL383370, ZINC7761, AOB2952, DTXSID40179244, EX-A115, ILAYIAGXTHKHNT-UHFFFAOYSA-N, HMS3651J10, AIDS-105293, BCP06491, MFCD09833899, s2914, 4-({4-[(2,4,6-Trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile, AKOS016513117, API0008108, CS-2184, DB08639, SB16698, KS-0000005H, NCGC00371120-06, 4CA-0437, BC224827, CJ-00117, HY-14266, QC-10229, SC-94595, FT-0665472, SW220193-1, Y0218, A12587, J-690269, 4-[[4-[(2,4,6-trimethylphenyl)-amino]-2-pyrimidinyl]amino]benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile, 4-[[4-[(2,4,6trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile, 4-[[4[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile, Benzonitrile,4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-, DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE, Obeticholic acid, Dapivirine [INN], TMC-120(Dapivirine), D0DC6U, cc-644, C20H19N5, AR-1I3460, CID214347, ACN-039837, C20-H19-N5, A8554, TPB, 28399-82-8, Dap,

Complexity	452
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.164g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	329.407g/mol
Monoisotopic Mass	329.164g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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