Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C(C)N(CC2=CC=CC=C2F)C2=NC(=C(CNCCC3=CC=CC=N3)N2C1=O)C(C)(C)C
InChIKey
InChIKey=KHDCNGJMDSMBGX-UHFFFAOYSA-N
Formula
C33H36FN5O2
Mass
553.682
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
Imidazopyrimidines Imidazo[1,2-a]pyrimidines Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyridines and derivatives N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Imidazo[1,2-a]pyrimidine - Imidazopyrimidinone - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aralkylamine - Pyrimidone - N-substituted imidazole - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Monocyclic benzene moiety - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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