Compound Identification
SMILES
ClC1=NC=NC2=C1N=CNN2CC1=CC=CC=C1
InChIKey
InChIKey=VYAQDYVAQFCNEM-UHFFFAOYSA-N
Formula
C12H10ClN5
Mass
259.7
Taxonomic Classification
Taxonomy Tree
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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
Imidolactams Benzene and substituted derivatives Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Carboxylic acid amidrazone - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic 1,3-dipolar compound - Azacycle - Formamidine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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