Compound Identification
SMILES
CC(=O)N1CCN=C1NC1=C(Cl)N=C(N=C1Cl)C1CC1
InChIKey
InChIKey=OQAHYDPYTLVIJR-UHFFFAOYSA-N
Formula
C12H13Cl2N5O
Mass
314.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Aminopyrimidines and derivatives Aryl chlorides Imidazolines Heteroaromatic compounds Acetamides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Acetamide - 2-imidazoline - Guanidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available