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4,6-dimethoxypyrimidine-5-carboxylic acid - 97%, high purity , CAS No.4319-93-1
Discover 4,6-dimethoxypyrimidine-5-carboxylic acid by Aladdin Scientific in 97% for only $44.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4,6-dimethoxypyrimidine-5-carboxylic acid | 4319-93-1 | 5-Pyrimidinecarboxylic acid, 4,6-dimethoxy- | MFCD11557227 | 5-pyrimidinecarboxylic acid,4,6-dimethoxy- | 5-Pyrimidinecarboxylic acid, 4,6-dimethoxy- (7CI,8CI,9CI) | SCHEMBL8599315 | AMY33781 | AKOS006229342 | SB21866
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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
IUPAC Name
4,6-dimethoxypyrimidine-5-carboxylic acid
INCHI
InChI=1S/C7H8N2O4/c1-12-5-4(7(10)11)6(13-2)9-3-8-5/h3H,1-2H3,(H,10,11)
InChIKey
SOUWJIUOLGPWJL-UHFFFAOYSA-N
Smiles
COC1=C(C(=NC=N1)OC)C(=O)O
Isomeric SMILES
COC1=C(C(=NC=N1)OC)C(=O)O
Molecular Weight
184.151
Reaxy-Rn
882922
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882922&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
184.150 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
184.048 Da
Monoisotopic Mass
184.048 Da
Topological Polar Surface Area
81.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
175.000
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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