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2-Amino-4-methyl-pyrimidine-5-carboxylic acid - 95%, high purity , CAS No.769-51-7
Basic Description
Synonyms
2-Amino-4-methylpyrimidine-5-carboxylic acid | 769-51-7 | 2-Amino-4-methyl-pyrimidine-5-carboxylic acid | BAS 07567147 | SCHEMBL1540141 | DTXSID10390085 | BBL011823 | MFCD05237187 | STL163405 | AKOS000111553 | PS-5720 | SB56029 | 2-Amino-4-methylpyrimidine-5-carboxylicacid | BB 02
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Aminopyrimidines and derivatives Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Aminopyrimidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine 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
Pubchem Sid
504762487
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762487
IUPAC Name
2-amino-4-methylpyrimidine-5-carboxylic acid
INCHI
InChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
DUWNUQBBVGEJPV-UHFFFAOYSA-N
Smiles
CC1=NC(=NC=C1C(=O)O)N
Isomeric SMILES
CC1=NC(=NC=C1C(=O)O)N
Molecular Weight
153.13
Reaxy-Rn
137869
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=137869&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.140 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
153.054 Da
Monoisotopic Mass
153.054 Da
Topological Polar Surface Area
89.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
162.000
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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