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ethyl 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate - 97%, high purity , CAS No.33458-27-4

COA

Grade & Purity:

≥97%

Cas Number: 33458-27-4
Molecular Weight: 170.17
MDL number: MFCD10688281
PubChem CID: 10844865

In stock

Item Number

E633631

Grouped product items
SKU	Size	Availability	Price
E633631-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
E633631-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
E633631-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90

Basic Description

Synonyms	FS-2381 \| MFCD10688281 \| DTXSID60445635 \| SCHEMBL1284263 \| DYEUWQNJWMPQAL-UHFFFAOYSA-N \| 2-Oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester \| 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-2-oxo-,ethyl ester \| ethyl 1,2,3,4-tetrahydro-2-oxo
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Hydropyrimidines
        Level6 Hydropyrimidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Hydropyrimidines
Direct Parent	Hydropyrimidine carboxylic acids and derivatives
Alternative Parents	Pyrimidones Vinylogous amides Enoate esters Ureas Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Hydropyrimidine carboxylic acid derivative - Pyrimidone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
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

Names and Identifiers

IUPAC Name	ethyl 2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
INCHI	InChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3H,2,4H2,1H3,(H2,8,9,11)
InChIKey	DYEUWQNJWMPQAL-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CNC(=O)NC1
Isomeric SMILES	CCOC(=O)C1=CNC(=O)NC1
Alternate CAS	33458-27-4
PubChem CID	10844865
Molecular Weight	170.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.170 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.069 Da
Monoisotopic Mass	170.069 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	235.000
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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