5-Chloro-2-methylpyrimidine - CAS 54198-89-9

Catalog:	BB028552
Product Name:	5-Chloro-2-methylpyrimidine
CAS:	54198-89-9
Synonyms:	5-chloro-2-methylpyrimidine; 5-chloro-2-methylpyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-2-methylpyrimidine
Description:	5-Chloro-2-methylpyrimidine (CAS# 54198-89-9) is a reagent that is synthesized from 2,5-Dichloropyrimidine, which is a reactant that has been used in the synthesis of BI 207524, an Indole Diamide NS5B Thumb Pocket 1 Inhibitor for the potential treatment of chronic hepatitis C virus.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	CC1=NC=C(C=N1)Cl
InChI:	InChI=1S/C5H5ClN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3
InChI Key:	UISREOKYJBBYSC-UHFFFAOYSA-N
Boiling Point:	169.3 °C at 760 mmHg
Density:	1.234 g/cm³
LogP:	1.43840

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Related Functional Groups

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[451-46-7]
Ethyl 4-fluorobenzoate
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

Complexity:	68.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0141259
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2