2-Chloropyrimidine (CED0014897)

Record Information

Version

1.0

Creation Date

2026-04-03 15:54:01 UTC

Update Date

2026-08-22 16:12:31 UTC

Accession Number

CHEM065765

Identification

Common Name

2-Chloropyrimidine

Class

Small Molecule

Description

2-Chloropyrimidine is an organic compound with the formula C4H3Cl1N2 and an average molecular weight of 114.53 g/mol. 2-Chloropyrimidine belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This organoheterocyclic compound has been identified as being found in or released from one recorded source: Electrical & Electronic Equipment (Television Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₃Cl₁N₂

Average Molecular Mass

114.530 g/mol

Monoisotopic Mass

113.998 g/mol

CAS Registry Number

1722-12-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClC1=NC=CC=N1

InChI Identifier

InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H

InChI Key

UNCQVRBWJWWJBF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

2-halopyrimidines

Alternative Parents

Substituents

2-halopyrimidine
Aryl halide
Aryl chloride
Heteroaromatic compound
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Organochloride
Organohalogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
232.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
537	Television Systems	Electrical & Electronic Equipment	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	30.5169
Click to view 3D structure	C-C chemokine receptor type 8	P51685	Humans	Predicted (SEA)	5.52729
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	64.8484
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	11.8331
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	14.0129
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	1628.22
Click to view 3D structure	Botulinum neurotoxin type A	P0DPI0	Clostridium botulinum	Predicted (SEA)	5.99439
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	402.325
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	1765.78
Click to view 3D structure	Methionine aminopeptidase 2	P50579	Humans	Predicted (SEA)	22.8877
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	4876.86
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	1309.66
Click to view 3D structure	Beta-lactamase	Q44079	Aeromonas hydrophila	Predicted (SEA)	43.7513
Click to view 3D structure	C-C chemokine receptor type 5	P51681	Humans	Predicted (SEA)	529.375
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	4745.84
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	636.807
Click to view 3D structure	M-phase inducer phosphatase 2	P30305	Humans	Predicted (SEA)	187.227
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	4400.58
Click to view 3D structure	Cyclin-dependent kinase 9	P50750	Humans	Predicted (SEA)	3655.25
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 2	Q12851	Humans	Predicted (SEA)	4392.33
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	4857.25
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit PRKX	P51817	Humans	Predicted (SEA)	3884.21
Click to view 3D structure	Serine/threonine-protein kinase D3	O94806	Humans	Predicted (SEA)	4352.32
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	4561.5
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	4629.69