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1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid - 97%, high purity , CAS No.4869-45-8

COA

Grade & Purity:

≥97%

Cas Number: 4869-45-8
Molecular Weight: 184.15
MDL number: MFCD09901808
PubChem CID: 13052842

In stock

Item Number

D633971

Grouped product items
SKU	Size	Availability	Price
D633971-250mg	250mg	2	$19.90
D633971-1g	1g	2	$55.90
D633971-5g	5g	1	$179.90
D633971-10g	10g	1	$289.90

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Pyrimidine compounds (125)

Basic Description

Synonyms	1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC ACID \| SCHEMBL11720340 \| F2113-0333 \| 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid \| SY019886 \| 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid \| EN300-79497 \| MF
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 acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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

Names and Identifiers

IUPAC Name	1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid
INCHI	InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChIKey	OQOZKHDSUDJUDR-UHFFFAOYSA-N
Smiles	CN1C=C(C(=O)N(C1=O)C)C(=O)O
Isomeric SMILES	CN1C=C(C(=O)N(C1=O)C)C(=O)O
Alternate CAS	4869-45-8
PubChem CID	13052842
Molecular Weight	184.15

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J2425816	Certificate of Analysis	Jul 03, 2024	D633971
J2425819	Certificate of Analysis	Jul 03, 2024	D633971
J2425802	Certificate of Analysis	Jul 03, 2024	D633971
J2425818	Certificate of Analysis	Jul 03, 2024	D633971
J2425860	Certificate of Analysis	Jul 03, 2024	D633971
J2425817	Certificate of Analysis	Jul 03, 2024	D633971
J2425820	Certificate of Analysis	Jul 03, 2024	D633971
J2425801	Certificate of Analysis	Jul 03, 2024	D633971

Chemical and Physical Properties

Molecular Weight	184.150 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	184.048 Da
Monoisotopic Mass	184.048 Da
Topological Polar Surface Area	77.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	320.000
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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