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ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate - 97%, high purity , CAS No.154942-22-0

COA

Grade & Purity:

≥97%

Cas Number: 154942-22-0
Molecular Weight: 198.18
MDL number: MFCD06661763
PubChem CID: 253770

In stock

Item Number

E629661

Grouped product items
SKU	Size	Availability	Price
E629661-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
E629661-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90
E629661-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$851.90

Basic Description

Synonyms	154942-22-0 \| ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate \| ethyl 3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate \| NSC77004 \| 3-methyluracil-5-carboxylic acid ethyl ester \| SCHEMBL6937497 \| MFCD06661763 \| NSC-77004 \| STL279659 \| AK
Specifications & Purity	≥97%
Shipped In	Normal

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 Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-5-carboxylic acid - Hydropyrimidine carboxylic acid derivative - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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
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 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
INCHI	InChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-9-8(13)10(2)6(5)11/h4H,3H2,1-2H3,(H,9,13)
InChIKey	ZKBZPXRXJDUNQR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CNC(=O)N(C1=O)C
Isomeric SMILES	CCOC(=O)C1=CNC(=O)N(C1=O)C
PubChem CID	253770
NSC Number	77004
Molecular Weight	198.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.180 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	198.064 Da
Monoisotopic Mass	198.064 Da
Topological Polar Surface Area	75.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	321.000
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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