Compound Identification
SMILES
COC(=O)C(C)(C)C1=C(CN(C)CCC2=CC=CC=N2)N2C(=N1)N(CC1=CC=CC=C1F)C(C)=C(C1=CC(OC)=CC=C1)C2=O
InChIKey
InChIKey=XYCILBLGOTVVJW-UHFFFAOYSA-N
Formula
C35H38FN5O4
Mass
611.718
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
Imidazo[1,2-a]pyrimidines Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aralkylamines Pyrimidones N-substituted imidazoles Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Methyl esters Vinylogous amides Amino acids and derivatives Lactams Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Imidazo[1,2-a]pyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aralkylamine - Pyrimidone - N-substituted imidazole - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Pyridine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Methyl ester - Amino acid or derivatives - Lactam - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organic oxygen compound - Organohalogen compound - Organic oxide - 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