5-Chloro-2-hydroxy-pyrimidine - CAS 54326-16-8

Name: 5-Chloro-2-hydroxy-pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	5-chloro-1H-pyrimidin-2-one
Description:	5-Chloro-2-hydroxy-pyrimidine (CAS# 54326-16-8) is used to prepare dimethoxy-pyrrolidylquinazolines as brain penetrable PDE10A inhibitors. It is also used in the synthesis of platinum(II) hydroxypyrimidinato ethylenediamine tetranuclear metallacalix[4]arene complexes.
Molecular Weight:	130.53
Molecular Formula:	C4H3ClN2O
Canonical SMILES:	C1=C(C=NC(=O)N1)Cl
InChI:	InChI=1S/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChI Key:	OCSYCDVQABSEPJ-UHFFFAOYSA-N
Purity:	≥ 98 %
Density:	1.55 g/cm³
Appearance:	Pale yellow crystals
Storage:	Store at 2-8 °C
MDL:	MFCD00129723
LogP:	0.42330

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

Publication Number	Title	Priority Date
JP-2017506229-A	4'-Difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication	20140206
JP-6581100-B2	4'-Difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication	20140206
CN-105392779-A	Tetrazolinone compound, and use therefor	20130731
US-2015299123-A1	S1p and/or atx modulating agents	20121120
WO-2010122171-A1	5-heteroarylmethyl-i- (b-mercapto- [1,2, 4 -triazolylmethyl) -cyclopentanol as fungicides	20090424

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.9933904
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.9933904
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1