2-Hydroxypyrimidine hydrochloride - CAS 38353-09-2

Name: 2-Hydroxypyrimidine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023641
Product Name:	2-Hydroxypyrimidine hydrochloride
CAS:	38353-09-2
Synonyms:	1H-pyrimidin-2-one;hydrochloride

Technical Data

IUPAC Name:	1H-pyrimidin-2-one;hydrochloride
Description:	2-Hydroxypyrimidine hydrochloride (CAS# 38353-09-2) is used as a reagent in the synthesis of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for potential treatment of chronic hepatitis C virus infection.
Molecular Weight:	132.55
Molecular Formula:	C4H4N2O · HCl
Canonical SMILES:	C1=CNC(=O)N=C1.Cl
InChI:	InChI=1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
InChI Key:	IAJINJSFYTZPEJ-UHFFFAOYSA-N
Boiling Point:	221.2 °C at 760 mmHg
Melting Point:	203-205 °C
Purity:	Min. 99 %
Density:	1.28 g/cm³
Appearance:	Light yellow to beige crystalline solid
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep away from water.
MDL:	MFCD00012781
LogP:	0.98420

GHS Hazard Statement:	H314 (14.29%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
KR-20200021494-A	Novel nucleoside or nucleotide derivatives, and use thereof	20200220
CN-112062724-A	Preparation method of 2-hydroxypyrimidine hydrochloride	20190611
CN-110128299-A	A kind of diphenyl ureas anti-tumor small molecular inhibitor and preparation method thereof	20190513
CN-110128299-B	Diphenylurea antitumor small-molecule inhibitor and preparation method thereof	20190513
WO-2020127511-A1	Sweetened dairy compositions comprising lactose hydrolysis products and glucosylated natural steviol glycosides	20181219

PMID	Publication Date	Title	Journal
21202808	20080625	Penta-kis(2-oxo-2,3-dihydro-pyrimidin-1-ium) di-μ(3)-chlorido-tri-μ(2)-chlorido-hexa-chloridotricadmate(II)	Acta crystallographica. Section E, Structure reports online
15852127	20050505	Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties	Dalton transactions (Cambridge, England : 2003)
8080452	19940817	Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii	Biochemical pharmacology

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.0090405
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	132.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0