Compound Identification
SMILES
CCC(N(CCN(C)C)C(=O)C1=CC=C(F)C=C1)C1=NC=C(C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=UBVAFXCTTRMRSR-UHFFFAOYSA-N
Formula
C31H33FN4O2
Mass
512.629
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - 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