AG00GTBZ

916603-07-1 | N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine

AG00GTBZ

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CAS Number	916603-07-1
Catalog Number	AG00GTBZ(AGN-PC-00QPJR)
Chemical Name	N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine
IUPAC Name	2-N-[4-(aminomethyl)phenyl]-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
InChI	InChI=1S/C17H16FN5/c18-15-11-20-17(22-14-8-6-12(10-19)7-9-14)23-16(15)21-13-4-2-1-3-5-13/h1-9,11H,10,19H2,(H2,20,21,22,23)
InChI Key	UKOHFWNBTUJMMN-UHFFFAOYSA-N
MDL Number	MFCD16251195
Molecular Formula	C17H16FN5
Molecular Weight	309.3408
SMILES	NCC1=CC=C(NC2=NC(NC3=CC=CC=C3)=C(F)C=N2)C=C1
Synonyms	916603-07-1, N2-(4-(Aminomethyl)phenyl)-5-fluoro-N4-phenylpyrimidine-2,4-diamine, N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine, Dianilinopyrimidine_01, CZC8004, CZC-8004, AK-80985, N(2)-[4-(aminomethyl)phenyl]-5-fluoro-N(4)-phenylpyrimidine-2,4-diamine, SCHEMBL4276330, CHEBI:39072, CTK5H0282, DTXSID10580580, SYN1037, BCP01985, KS-00000QM1, 5447AC, ABP000511, ANW-67911, MFCD16251195, RS0108, ZINC22048622, AKOS016006994, NCGC00387026-01, AJ-80761, AS-16202, QC-11657, AX8238213, DB-079123, HY-111138, RT-014629, ST2407493, 4CH-019069, CS-0034386, FT-0661935, Z-2425, J-523400, Target-5 (Kinase Probe Tool, APM-1)/Dianilinopyrimidine_01, 2-N-[4-(aminomethyl)phenyl]-5-fluoro-4-N-phenylpyrimidine-2,4-diamine, N~2~-[4-(Aminomethyl)phenyl]-5-fluoro-N~4~-phenylpyrimidine-2,4-diamine, N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenyl-2,4-pyrimidinediamine, N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine/, C17H16FN5, UKOHFWNBTUJMMN-UHFFFAOYSA-N, ACN-046709, 7-Chloroimidazo[1,2-a]pyridin-8-amine, N-(4-bromophenyl)-N-(naphthalen-2-yl)naphthalen-1-amine,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.139g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	309.348g/mol
Monoisotopic Mass	309.139g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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