5-Pyrimidineethanol - CAS 875251-47-1

Catalog:	BB038513
Product Name:	5-Pyrimidineethanol
CAS:	875251-47-1
Synonyms:	2-(5-pyrimidinyl)ethanol; 2-pyrimidin-5-ylethanol

Technical Data

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Computed Properties

IUPAC Name:	2-pyrimidin-5-ylethanol
Description:	5-Pyrimidineethanol (CAS# 875251-47-1) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	C1=C(C=NC=N1)CCO
InChI:	InChI=1S/C6H8N2O/c9-2-1-6-3-7-5-8-4-6/h3-5,9H,1-2H2
InChI Key:	DEMNOIPKWUBEAZ-UHFFFAOYSA-N
Boiling Point:	251.756 °C at 760 mmHg
Density:	1.169 g/cm³
Appearance:	Liquid
MDL:	MFCD09926205
LogP:	0.01140

Publication Number	Title	Priority Date
CN-110563655-A	Preparation method of 5- (2-bromoethyl) pyrimidine	20190924
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
AU-2018256423-A1	PD-1/PD-L1 inhibitors	20170420

PMID	Publication Date	Title	Journal
19002079	20081106	Synthesis and structural characterization of the 5-(2-haloethyl)pyrimidines--hydrogen-bonded chains in alpha-(1-carbamyliminomethylene)-gamma-butyrolactone	Molecules (Basel, Switzerland)

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Complexity:	71.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.063662883
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	46
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2