4-Chloro-2-methylpyrimidine - CAS 4994-86-9

Name: 4-Chloro-2-methylpyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026866
Product Name:	4-Chloro-2-methylpyrimidine
CAS:	4994-86-9
Synonyms:	4-chloro-2-methylpyrimidine; 4-chloro-2-methylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-methylpyrimidine
Description:	4-Chloro-2-methylpyrimidine (CAS# 4994-86-9) is a reagent in the preparation of (pyridylmethyl)-/(pyrimidin-4-ylmethyl)-dihydroquinolines as antagonists against CXCR4.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	CC1=NC=CC(=N1)Cl
InChI:	InChI=1S/C5H5ClN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
InChI Key:	WDTVJRYCMIZPMX-UHFFFAOYSA-N
Boiling Point:	169.319 °C at 760 mmHg
Density:	1.235 g/cm³
MDL:	MFCD00234069
LogP:	1.43840

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Related Functional Groups

Other Pyrimidines

[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021203007-A1	Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin	20200403
WO-2021155316-A1	Compounds and uses thereof	20200129
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021105481-A1	Novel compounds for treatment of diseases related to dux4 expression	20191129
CN-110483493-A	A kind of diazole analog derivative and its preparation method and application	20190919

Complexity:	76.8
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6