4,6-Dihydroxypyrimidine - CAS 1193-24-4

Name: 4,6-Dihydroxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	4-hydroxy-1H-pyrimidin-6-one
Description:	4,6-Dihydroxypyrimidine (CAS# 1193-24-4) is a compound useful in organic synthesis.
Molecular Weight:	112.09
Molecular Formula:	C4H4N2O2
Canonical SMILES:	C1=C(N=CNC1=O)O
InChI:	InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChI Key:	DUFGYCAXVIUXIP-UHFFFAOYSA-N
Boiling Point:	358.5 °C at 760 mmHg
Melting Point:	300 °C
Purity:	98 %
Solubility:	>16.8 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Light yellow powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00016733
LogP:	-0.11220

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2015043093-A1	Method for preparing 4,6-dichloropyrimidine	20130924
WO-2015035219-A1	Aqueous electrolyte composition having a reduced airborne emission, method and use of this composition	20130905
WO-2015029049-A1	Linerless sheeting article	20130830
US-2014256941-A1	Processes and intermediates for making a jak inhibitor	20130306
US-2015183805-A1	Processes and intermediates for making a jak inhibitor	20130306

PMID	Publication Date	Title	Journal
22635055	20120721	Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue	Dalton transactions (Cambridge, England : 2003)
21225056	20110307	Synthesis of Janus type nucleoside analogues and their preliminary bioactivity	Organic & biomolecular chemistry
19123781	20090309	Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction	Journal of combinatorial chemistry
12762682	20030529	Ionic disparity of identical molecules in polymorphs	Organic letters
8080452	19940817	Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii	Biochemical pharmacology

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.027277375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.027277375
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9