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N-(5-methyl-2-oxo-2,3-dihydropyrimidin-4-yl)benzamide - 97%, high purity , CAS No.126354-30-1
Basic Description
Synonyms
126354-30-1 | N-(5-Methyl-2-oxo-2,3-dihydropyrimidin-4-yl)benzamide | N-(5-methyl-2-oxo-1H-pyrimidin-6-yl)benzamide | MFCD27942761 | Benzamide, N-(2,3-dihydro-5-methyl-2-oxo-4-pyrimidinyl)- | SCHEMBL5344725 | DTXSID70449705 | Benzamide, N-(1,2-dihydro-5-methyl-2-oxo-4-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzamides
Alternative Parents
Benzoyl derivatives Pyrimidones Hydropyrimidines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoyl - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
N-(5-methyl-2-oxo-1H-pyrimidin-6-yl)benzamide
INCHI
InChI=1S/C12H11N3O2/c1-8-7-13-12(17)15-10(8)14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey
FMKLITBCOZWOEX-UHFFFAOYSA-N
Smiles
CC1=C(NC(=O)N=C1)NC(=O)C2=CC=CC=C2
Isomeric SMILES
CC1=C(NC(=O)N=C1)NC(=O)C2=CC=CC=C2
PubChem CID
10955344
Molecular Weight
229.239
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.230 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
229.085 Da
Monoisotopic Mass
229.085 Da
Topological Polar Surface Area
70.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
393.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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