5-Hydroxypyrimidine - CAS 26456-59-7

Catalog:	BB019290
Product Name:	5-Hydroxypyrimidine
CAS:	26456-59-7
Synonyms:	5-pyrimidinol; pyrimidin-5-ol

Technical Data

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Computed Properties

IUPAC Name:	pyrimidin-5-ol
Description:	5-Hydroxypyrimidine (CAS# 26456-59-7) is a compound useful in organic synthesis.
Molecular Weight:	96.09
Molecular Formula:	C4H4N2O
Canonical SMILES:	C1=C(C=NC=N1)O
InChI:	InChI=1S/C4H4N2O/c7-4-1-5-3-6-2-4/h1-3,7H
InChI Key:	LTXJLQINBYSQFU-UHFFFAOYSA-N
Boiling Point:	227.2 °C at 760 mmHg
Density:	1.293 g/cm³
Appearance:	Solid
MDL:	MFCD06412562
LogP:	0.18220

Publication Number	Title	Priority Date
CN-111269215-A	Nitrogen-containing heterocyclic organic compound and preparation method and application thereof	20200401
EP-3851424-A1	Use of reaction resin mixtures with a predefined polarity for adjusting the gel time of a mortar mass and method for adjusting the gel time of a mortar mass	20200114
WO-2021146192-A1	Substituted pyrazolo-pyrimidines and uses thereof	20200113
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108
CN-110452355-A	A kind of selfreparing termite-resistant rodent-resistant polyurethane, preparation method and application	20190924

PMID	Publication Date	Title	Journal
21397997	20110501	An expeditious access to 5-pyrimidinol derivatives from cyclic methylglyoxal diadducts, formation of argpyrimidines under physiological conditions and discovery of new CFTR inhibitors	European journal of medicinal chemistry
21163661	20110101	Synthesis and xanthine oxidase inhibitory activity of 7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one derivatives	Bioorganic & medicinal chemistry
21799731	20110101	New insights in the removal of the hydantoins, oxidation product of pyrimidines, via the base excision and nucleotide incision repair pathways	PloS one
20665014	20100801	The role of the formamide/zirconia system in the synthesis of nucleobases and biogenic carboxylic acid derivatives	Journal of molecular evolution
18975911	20081205	A simple Cu-catalyzed coupling approach to substituted 3-pyridinol and 5-pyrimidinol antioxidants	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	51.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.032362755
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	96.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	46 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4