Compound Identification
SMILES
CCC1=NC2=C(N=CN=C2N1C(C1CC1)C1CC1)C1=CC(F)=C(OC)C=C1Cl
InChIKey
InChIKey=DVCZKRAYTKMIAZ-UHFFFAOYSA-N
Formula
C21H22ClFN4O
Mass
400.88
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
Purines and purine derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Imidazopyrimidine - Purine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azole - Azacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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