Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=CC(=NN12)C(=O)OC[C@H]1CCC[NH+]2CCCC[C@H]12)C1=CC=CC=C1
InChIKey
InChIKey=RMEBLBDZRGUWLZ-YLJYHZDGSA-O
Formula
C24H26F3N4O2
Mass
459.493
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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
Lupinine-type alkaloids Quinolizines Quinolizidines Pyrazolo[1,5-a]pyrimidines Pyrazole carboxylic acids and derivatives Benzene and substituted derivatives Piperidines Quaternary ammonium salts Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organofluorides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lupinine - 4-phenylpyrimidine - Quinolizine - Quinolizidine - Pyrazolo[1,5-a]pyrimidine - Alkaloid or derivatives - Pyrazolopyrimidine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Organic cation - 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