2,4-Dihydroxypyrimidine-5-carboxylic acid - 10mM in DMSO , CAS No.23945-44-0

CAS: 23945-44-0 Cat. No.: D422799 Molecular Weight: 156.1 EC Number: 245-947-2

GRADE & PURITY 10mM in DMSO

Synonyms

5CU | InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11 | uracil-5-carboxylic acid (enol form) | 5-Pyrimidinecarboxylic acid,2,3,4-tetrahydro-2,4-dioxo- | uracil-5-carboxylic acid momohydrate | AKOS001717388 | MFCD00006023 | 2,4-dioxo-1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

2,4-Dihydroxypyrimidine-5-carboxylic acid (Uracil-5-carboxylic acid) has been used for the visual sensing of melamine (at parts-per-billion (ppb) level) by a highly sensitive analytical method based on Au nanoparticles. It has been used to synthesize N1-alkylated uracil derivatives.
Has been used for the visual sensing of melamine.

Specifications

Synonyms

5CU | InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H, (H, 9, 10)(H2, 6, 7, 8, 11 | uracil-5-carboxylic acid (enol form) | 5-Pyrimidinecarboxylic acid, 2, 3, 4-tetrahydro-2, 4-dioxo- | uracil-5-carboxylic acid momohydrate | AKOS001717388 | MFCD00006023 | 2, 4-dioxo-1

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=C(C(=O)NC(=O)N1)C(=O)O
• IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid
• InChIKey: ZXYAAVBXHKCJJB-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1)C(=O)O
• WGK Germany: 3
• Alternate CAS: 59299-01-3
• Molecular Weight: 156.1
• Reaxy-Rn: 141683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• 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: Hydroxypyrimidines Vinylogous acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-5-carboxylic acid - Hydroxypyrimidine - Vinylogous acid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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: pyrimidinemonocarboxylic acid

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 283°C
• Molecular Weight: 156.100 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.017 Da
• Monoisotopic Mass: 156.017 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 268.000
• 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