Compound Identification
SMILES
NCCCN(CCCN)CC1=C(F)C=C(C=C1)C1=CN=C(NC(=O)NC2=CC(F)=C(F)C=C2F)NC1=O
InChIKey
InChIKey=TYUZUQOUVXTWSM-UHFFFAOYSA-N
Formula
C24H27F4N7O2
Mass
521.521
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-phenylureas Phenylmethylamines Benzylamines Pyrimidones Aralkylamines Fluorobenzenes Aryl fluorides Hydropyrimidines Heteroaromatic compounds Ureas Trialkylamines Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - N-phenylurea - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organooxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Amine - Organofluoride - Organonitrogen 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