Compound Identification
SMILES
CCCCCCCC(O)=O.C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1NCN=C1)C1=C(C=C(F)C=C1)C1=NC=NC=C1F
InChIKey
InChIKey=CGUXWNYQMIIHJS-XVHUJMMASA-N
Formula
C28H34F3N7O3
Mass
573.621
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
Phenylpropanes Medium-chain fatty acids Halopyrimidines Fluorobenzenes Straight chain fatty acids Aryl fluorides Triazolines Tertiary alcohols Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Formamidines Hydrocarbon derivatives Carbonyl compounds Imines Organic oxides Aromatic alcohols Organofluorides
Molecular Framework
Not available
Substituents
4-phenylpyrimidine - Phenylpropane - Medium-chain fatty acid - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Straight chain fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary alcohol - Triazoline - Carboxylic acid amidrazone - Azacycle - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Formamidine - Hydrocarbon derivative - Organic oxygen compound - Imine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic alcohol - 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