Compound Identification
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC2=C(OC(C)(C(=O)N2CCNC(=O)OC)C2=CC(F)=CC(F)=C2)C=C1
InChIKey
InChIKey=MNEZWRIUOPOINT-UHFFFAOYSA-N
Formula
C25H26F2N6O4
Mass
512.518
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
Benzoxazinones Benzomorpholines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Tertiary carboxylic acid amides Methylcarbamates Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzoxazinone - Benzomorpholine - Benzoxazine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Benzenoid - Imidolactam - Methylcarbamate - Carbamic acid ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Amine - Organic nitrogen compound - Primary amine - Organohalogen compound - Organooxygen compound - Organonitrogen 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