Compound Identification
SMILES
COC1=CC=CC(=C1)C1=CC(=NC(=N1)N1CCN(CC2=CC=CC=C2)CC1)C(F)(F)F
InChIKey
InChIKey=CAROIFDLLATSIP-UHFFFAOYSA-N
Formula
C23H23F3N4O
Mass
428.459
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 Anisoles Phenylmethylamines Phenoxy compounds Benzylamines Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - N-arylpiperazine - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - 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