N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine - CAS 1069112-52-2

Catalog:	BB056366
Product Name:	N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine
CAS:	1069112-52-2
Synonyms:	4-Pyrimidinamine, N-methyl-6-(4-nitrophenoxy)-; N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine

Technical Data

IUPAC Name:	N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
Description:	N-Methyl-6-(4-nitrophenoxy)-4-pyrimidinamine 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:	246.22
Molecular Formula:	C11H10N4O3
Canonical SMILES:	CNC1=CC(=NC=N1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C11H10N4O3/c1-12-10-6-11(14-7-13-10)18-9-4-2-8(3-5-9)15(16)17/h2-7H,1H3,(H,12,13,14)
InChI Key:	KORPRCBLGDHSOO-UHFFFAOYSA-N
References:	Weisberg, E., et al. Genes Cancer, 1, 1021-1032 (2010).

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.07529019
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.07529019
Rotatable Bond Count:	3
Topological Polar Surface Area:	92.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2