Compound Identification
SMILES
CCC1=CC=C(C=C1)C1=CC(=NC(=N1)N1CC[NH2+]CC1)C(F)(F)F
InChIKey
InChIKey=BJGJEAIPWYCBNI-UHFFFAOYSA-O
Formula
C17H20F3N4
Mass
337.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
N-arylpiperazines Dialkylarylamines Aminopyrimidines and derivatives Benzene and substituted derivatives Quaternary ammonium salts Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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