5-Fluoro-2-(hydroxymethyl)pyrimidine - CAS 1227574-72-2

Catalog:	BB005489
Product Name:	5-Fluoro-2-(hydroxymethyl)pyrimidine
CAS:	1227574-72-2
Synonyms:	(5-fluoro-2-pyrimidinyl)methanol; (5-fluoropyrimidin-2-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-fluoropyrimidin-2-yl)methanol
Description:	5-Fluoro-2-(hydroxymethyl)pyrimidine (CAS# 1227574-72-2) is used as a reactant in the preparation of novel valinate amide benzoxaboroles analogs as trypanosomicides.
Molecular Weight:	128.10
Molecular Formula:	C5H5FN2O
Canonical SMILES:	C1=C(C=NC(=N1)CO)F
InChI:	InChI=1S/C5H5FN2O/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
InChI Key:	TXZSJRMEHFCYPZ-UHFFFAOYSA-N
LogP:	0.10800

Publication Number	Title	Priority Date
AU-2017340602-A1	Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators	20161006
EP-3523311-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006
JP-2019530695-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators	20161006
KR-20190056435-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -one and its use as a GLUN2B receptor modulator	20161006
TW-201819376-A	Substituted 1H-imidazo[4,5-b]pyridine-2(3H)-one and its use as a GLUN2B receptor modulator	20161006

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Complexity:	83
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03859095
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.03859095
Rotatable Bond Count:	1
Topological Polar Surface Area:	46
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5