4-Chloro-6-methyl-2-(methylthio)pyrimidine - CAS 17119-73-2

Catalog:	BB012726
Product Name:	4-Chloro-6-methyl-2-(methylthio)pyrimidine
CAS:	17119-73-2
Synonyms:	4-chloro-6-methyl-2-(methylthio)pyrimidine; 4-chloro-6-methyl-2-methylsulfanylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-6-methyl-2-methylsulfanylpyrimidine
Description:	4-Chloro-6-methyl-2-(methylthio)pyrimidine has been used in the synthesis of 4-chloro-2-(3,5-dimethyl-1h-pyrazol-1-yl)-6-methylpyrimidine.
Molecular Weight:	174.65
Molecular Formula:	C6H7ClN2S
Canonical SMILES:	CC1=CC(=NC(=N1)SC)Cl
InChI:	InChI=1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChI Key:	ALMBOXQFPLQVLF-UHFFFAOYSA-N
Boiling Point:	266.2 °C at 760 mmHg
Density:	1.3 g/cm³
MDL:	MFCD00023233
LogP:	2.16030

Publication Number	Title	Priority Date
WO-2019224096-A1	Heterocondensed pyridones compounds and their use as idh inhibitors	20180521
AU-2019273599-A1	Heterocondensed pyridones compounds and their use as IDH inhibitors	20180521
AU-2019273599-A2	Heterocondensed pyridones compounds and their use as IDH inhibitors	20180521
CN-112469719-A	Heterocondensed pyridone compounds and their use as IDH inhibitors	20180521
EP-3797107-A1	Heterocondensed pyridones compounds and their use as idh inhibitors	20180521

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Related Functional Groups

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0018471
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.0018471
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4