2,4-Dichloro-6-methoxypyrimidine - CAS 43212-41-5

Name: 2,4-Dichloro-6-methoxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025370
Product Name:	2,4-Dichloro-6-methoxypyrimidine
CAS:	43212-41-5
Synonyms:	2,4-dichloro-6-methoxypyrimidine; 2,4-dichloro-6-methoxypyrimidine

Technical Data

IUPAC Name:	2,4-dichloro-6-methoxypyrimidine
Description:	2,4-Dichloro-6-methoxypyrimidine (CAS# 43212-41-5) is an intermediate used to prepare piperazinyl pyrimidine derivatives as γ-secretase modulators. It is also used in the synthesis of α-azinylalkylamino-substituted (thiazolylamino)pyrimidines and -pyrazines as selective JAK2 inhibitors.
Molecular Weight:	179.00
Molecular Formula:	C5H4Cl2N2O
Canonical SMILES:	COC1=CC(=NC(=N1)Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3
InChI Key:	ZSNZDRHTTWBNGI-UHFFFAOYSA-N
MDL:	MFCD00955635
LogP:	1.79200

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020135507-A1	Polysubstituted anilinopyrimidine derivative and preparation method and application thereof	20181226
WO-2020064792-A1	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
TW-202024065-A	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
EP-3856737-A1	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
CA-3074719-A1	Substituted pyrrolopyridines as atr inhibitors	20170908

PMID	Publication Date	Title	Journal
21580403	20100217	4-Chloro-2-{3-chloro-2-[(3,5-dimethyl-piperidin-1-yl)meth-yl]phenyl-sulfan-yl}-6-methoxy-pyrimidine	Acta crystallographica. Section E, Structure reports online
21578352	20091017	N-[2-Chloro-6-(4-chloro-6-methoxy-pyrimidin-2-ylsulfan-yl)benz-yl]-3,4-dimethyl-aniline	Acta crystallographica. Section E, Structure reports online

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9700681
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.9700681
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4