Compound Identification
SMILES
CCNC1=C(N)C(Cl)=NC(=N1)C(F)(F)F
InChIKey
InChIKey=MHWRXDYBLKRTFI-UHFFFAOYSA-N
Formula
C7H8ClF3N4
Mass
240.61
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
Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - 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