4,6-Bis(4-nitrophenoxy)pyrimidine - CAS 1069112-51-1

Catalog:	BB074127
Product Name:	4,6-Bis(4-nitrophenoxy)pyrimidine
CAS:	1069112-51-1
Synonyms:	Pyrimidine, 4,6-bis(4-nitrophenoxy)-; 4,6-bis(4-nitrophenoxy)pyrimidine

Technical Data

IUPAC Name:	4,6-bis(4-nitrophenoxy)pyrimidine
Description:	4,6-Bis(4-nitrophenoxy)pyrimidine is an intermediate in the synthesis of N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea (E926495), which is an inhibitor of RET, FLT3, KDR, c-Abl and c-Kit. Also, it prevent the growth of human thyroid cancer cells.
Molecular Weight:	354.27
Molecular Formula:	C16H10N4O6
Canonical SMILES:	C1=CC(=CC=C1[N+](=O)[O-])OC2=CC(=NC=N2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C16H10N4O6/c21-19(22)11-1-5-13(6-2-11)25-15-9-16(18-10-17-15)26-14-7-3-12(4-8-14)20(23)24/h1-10H
InChI Key:	LJKMKRGHNQFQBO-UHFFFAOYSA-N
Solubility:	Dichloromethane
Appearance:	Reddish Brown Solid
References:	Weisberg, E., et al. Genes Cancer, 1, 1021-1032 (2010).

Complexity:	438
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.06003405
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	354.06003405
Rotatable Bond Count:	4
Topological Polar Surface Area:	136Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6