AG00BF2V

252935-94-7 | 2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-

AG00BF2V

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CAS Number	252935-94-7
Catalog Number	AG00BF2V(AGN-PC-0R12F7)
Chemical Name	2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-
IUPAC Name	6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
InChI	InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)
InChI Key	MDZCSIDIPDZWKL-UHFFFAOYSA-N
MDL Number	MFCD10565922
Molecular Formula	C20H17Cl2N9O2
Molecular Weight	486.3141
SMILES	NC1=C([N+]([O-])=O)C=CC(NCCNC2=NC=C(N3C=CN=C3)C(C4=CC=C(Cl)C=C4Cl)=N2)=N1
Synonyms	Chir 98014, Chir-98014, Chir98014, CHIR-98014, 252935-94-7, CHIR98014, 6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine, cc-83, GTPL8016, CHEMBL3185148, Chir98014, 20, SCHEMBL14672557, BDBM92356, AOB6865, DTXSID50694251, BCP01900, EX-A1079, MFCD10565922, s2745, ZINC42856088, AKOS015994559, BCP9000519, CS-3122, CT98014, ES-0004, SB19267, NCGC00346677-01, NCGC00346677-07, 2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-, AK547689, AN-16859, BC638588, CT 98014, HY-13076, FT-0711479, Y0328, CHIR 98014, >=98% (HPLC), 252935-94-7 pound not CHIR98014 pound not CHIR 98014, 2-N-(2-{[4-(2,4-dichlorophenyl)-5-(imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-5-nitropyridine-2,6-diamine, N*6*-{2-[4-(2,4-Dichloro-phenyl)-5-imidazol-1-yl-pyrimidin-2-ylamino]-ethyl}-3-nitro-pyridine-2,6-diamine, N~6~-(2-{[4-(2,4-Dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-3-nitropyridine-2,6-diamine, N2-(2-((4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine, N2-(2-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-5-nitropyridine-2,6-diamine, N6-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine, CHIR 98014, D04ZWF, MDZCSIDIPDZWKL-UHFFFAOYSA-N, CT-98014, A8395, A11085, C473710, 556813-39-9, 2,6-PYRIDINEDIAMINE,N6-[2-[[4- -5- -2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-2,6-PYRIDINEDIAMINE,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	485.088g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	486.317g/mol
Monoisotopic Mass	485.088g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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