5-Amino-2-chloro-4-methoxypyrimidine - CAS 96833-41-9

Catalog:	BB042011
Product Name:	5-Amino-2-chloro-4-methoxypyrimidine
CAS:	96833-41-9
Synonyms:	2-chloro-4-methoxy-5-pyrimidinamine; 2-chloro-4-methoxypyrimidin-5-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-methoxypyrimidin-5-amine
Description:	5-Amino-2-chloro-4-methoxypyrimidine (CAS# 96833-41-9) is a useful research chemical.
Molecular Weight:	159.57
Molecular Formula:	C5H6ClN3O
Canonical SMILES:	COC1=NC(=NC=C1N)Cl
InChI:	InChI=1S/C5H6ClN3O/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChI Key:	BTTZBKYSXZSBAS-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.30200

Publication Number	Title	Priority Date
AU-2017208555-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors	20160122
CA-3012031-A1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122
EP-3405464-B1	New 6-membered heteroaromatic substituted cyanoindoline derivatives as nik inhibitors	20160122
EP-3004118-A1	Use of condensed benzo[b]thiazine derivatives as cytoprotectants	20130531
EP-3004118-B1	Use of condensed benzo[b]thiazine derivatives as cytoprotectants	20130531

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Related Functional Groups

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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0199395
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.0199395
Rotatable Bond Count:	1
Topological Polar Surface Area:	61
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8