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4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine

4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine - CAS 1044145-59-6

Catalog:	BB001393
Product Name:	4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine
CAS:	1044145-59-6
Synonyms:	[4-chloro-2-(methylthio)-5-pyrimidinyl]methanol; (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
Description:	4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine (CAS# 1044145-59-6) is a useful research chemical.
Molecular Weight:	190.65
Molecular Formula:	C6H7ClN2OS
Canonical SMILES:	CSC1=NC=C(C(=N1)Cl)CO
InChI:	InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3
InChI Key:	ADJUHOQFENGHSW-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD11858523
LogP:	1.34420

Publication Number	Title	Priority Date
CN-112142733-A	Synthetic route of pan FGFR covalent inhibitor PRN1371	20201016
WO-2021170076-A1	Compounds as cdk2/4/6 inhibitors	20200228
WO-2021073593-A1	Aminopyrimidine compound as cdk2/4/6 triple inhibitor	20191017
WO-2020140052-A1	Cyclin-dependent kinase inhibitors	20181228
WO-2020140054-A1	Cyclin-dependent kinase inhibitors	20181228

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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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9967617
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.9967617
Rotatable Bond Count:	2
Topological Polar Surface Area:	71.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1