2-Methyl-5-pyrimidinemethanol - CAS 2239-83-0

Catalog:	BB017577
Product Name:	2-Methyl-5-pyrimidinemethanol
CAS:	2239-83-0
Synonyms:	(2-methyl-5-pyrimidinyl)methanol; (2-methylpyrimidin-5-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-methylpyrimidin-5-yl)methanol
Description:	2-Methyl-5-pyrimidinemethanol (CAS# 2239-83-0) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CC1=NC=C(C=N1)CO
InChI:	InChI=1S/C6H8N2O/c1-5-7-2-6(4-9)3-8-5/h2-3,9H,4H2,1H3
InChI Key:	HOBMGFDJYBEWLS-UHFFFAOYSA-N
Boiling Point:	237 °C
Density:	1.171 g/cm³
Appearance:	Solid
MDL:	MFCD09414732
LogP:	0.27730

Publication Number	Title	Priority Date
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
KR-20200058443-A	Heteroaryl compounds as CXCR4 inhibitors, compositions and methods of use	20170925
WO-2019060860-A1	HETEROARYL COMPOUNDS AS INHIBITORS OF CXCR4, COMPOSITION AND METHOD OF USE THEREOF	20170925
EP-3687540-A1	Heteroaryl compounds as cxcr4 inhibitors, composition and method using the same	20170925
JP-2020535226-A	Heteroaryl compounds as CXCR4 inhibitors, compositions and methods using them	20170925

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Complexity:	79.1
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:	1
Topological Polar Surface Area:	46
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3