4-Amino-2-chloro-5-methoxypyrimidine - CAS 99979-77-8

Catalog:	BB042375
Product Name:	4-Amino-2-chloro-5-methoxypyrimidine
CAS:	99979-77-8
Synonyms:	2-chloro-5-methoxy-4-pyrimidinamine; 2-chloro-5-methoxypyrimidin-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-5-methoxypyrimidin-4-amine
Description:	4-Amino-2-chloro-5-methoxypyrimidine (CAS# 99979-77-8 ) is a useful research chemical.
Molecular Weight:	159.57
Molecular Formula:	C5H6ClN3O
Canonical SMILES:	COC1=CN=C(N=C1N)Cl
InChI:	InChI=1S/C5H6ClN3O/c1-10-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChI Key:	ORUMXWAUZBTDLW-UHFFFAOYSA-N
LogP:	0.65090

Publication Number	Title	Priority Date
WO-2019241461-A1	Tetrahydropyran-based thiodisaccharide mimics as galectin-3 inhibitors	20180615
CN-112292386-A	Tetrahydropyran-based thiodisaccharide mimetics as galectin-3 inhibitors	20180615
EP-3807290-A1	Tetrahydropyran-based thiodisaccharide mimics as galectin-3 inhibitors	20180615
KR-20210021015-A	Tetrahydropyran-based thiodisaccharide mimetics as galectin-3 inhibitors	20180615
US-2021323991-A1	Tetrahydropyran-based thiodisaccharide mimics as galectin-3 inhibitors	20180615

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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