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4-Amino-2-hydroxy-pyrimidine-5-carboxylic acid ethyl ester - 10mM in DMSO, high purity , CAS No.20187-46-6

COA

Grade & Purity:

10mM in DMSO

Cas Number: 20187-46-6
Molecular Weight: 183.168
PubChem CID: 219812

In stock

Item Number

A422456

Grouped product items
SKU	Size	Availability	Price	Qty
A422456-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate \| 20187-46-6 \| ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate \| ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate \| ethyl4-amino-2-hydroxypyrimidine-5-carboxylate \| 5-Pyrimidinecarboxylic acid, 6-amino-1,2-dihy
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

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	Hydropyrimidine carboxylic acids and derivatives Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate
INCHI	InChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,12)
InChIKey	GGHDCMZITFQXRE-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(NC(=O)N=C1)N
Isomeric SMILES	CCOC(=O)C1=C(NC(=O)N=C1)N
Molecular Weight	183.168
Reaxy-Rn	6922778
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6922778&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.160 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	183.064 Da
Monoisotopic Mass	183.064 Da
Topological Polar Surface Area	93.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	306.000
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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