2-Amino-4,6-dichloro-5-methoxypyrimidine - CAS 13428-25-6

Catalog:	BB007906
Product Name:	2-Amino-4,6-dichloro-5-methoxypyrimidine
CAS:	13428-25-6
Synonyms:	4,6-dichloro-5-methoxy-2-pyrimidinamine; 4,6-dichloro-5-methoxypyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloro-5-methoxypyrimidin-2-amine
Description:	2-Amino-4,6-dichloro-5-methoxypyrimidine (CAS# 13428-25-6) is a useful research chemical compound.
Molecular Weight:	194.02
Molecular Formula:	C5H5Cl2N3O
Canonical SMILES:	COC1=C(N=C(N=C1Cl)N)Cl
InChI:	InChI=1S/C5H5Cl2N3O/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
InChI Key:	HJPXRPSGMWLORH-UHFFFAOYSA-N
MDL:	MFCD19301893
LogP:	1.95540

Publication Number	Title	Priority Date
WO-2021063852-A1	Substituted pyrimidine for the treatment and prophylaxis of hepatitis b virus infection	20190930
AU-2017372722-A1	Pyrimidine compounds containing acidic groups	20161205
BR-112019011284-A2	compound, pharmaceutical composition, methods of treating a condition, hbv and cancer, and, use of a compound.	20161205
US-10287253-B2	Substituted pyrimidines containing acidic groups as TLR7 modulators	20161205
US-2018155298-A1	Pyrimidine compounds containing acidic groups	20161205

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Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.9809672
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.9809672
Rotatable Bond Count:	1
Topological Polar Surface Area:	61
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7