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1,3-Dimethyluracil - 99%, high purity , CAS No.874-14-6

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1,3-Dimethyluracil - 99%, high purity , CAS No.874-14-6

COA

Grade & Purity:

≥99%

Cas Number: 874-14-6
Molecular Weight: 140.14
Beilstein Registry Number: 124074
EC Number: 212-856-4
MDL number: MFCD00038065
PubChem CID: 70122
PubChem SID: 488184480

In stock

Item Number

D124271

Grouped product items
SKU	Size	Availability	Price
D124271-1g	1g	3	$39.90
D124271-5g	5g	3	$118.90
D124271-25g	25g	3	$589.90
D124271-100g	100g	5	$2,123.90
D124271-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9,557.90

View related series

Endogenous Metabolite (959) Metabolic Enzyme/Protease (4860) Metabolite (5307) Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	1,3-dimethyl-2,4-pyrimidinedione \| EN300-26213 \| 1,3-Dimethyluracil \| BN3V9WZ8FN \| NSC 401858 \| 1, 3-dimethyl-2,4(1H,3H)-Pyrimidinedione \| AB-323/25048172 \| DTXSID0061244 \| AMY4131 \| 2,3H)-Pyrimidinedione, 1,3-dimethyl- \| 1,3-Dimethyl-1H-pyrimidine-2,4-di
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	1,3-Dimethyluracil is a pyrimidine derivative. Stability of the C6-centered carbanions derived from 1,3-dimethyluracil has been investigated in the gas phase and in DMSO and water solutions. The excited state structural dynamics of 1,3-dimethyluracil (DMU) in water and acetonitrile has been studied by resonance Raman spectroscopy. Crystal structure of 1,3-dimethyluracil has been reported. Ultraviolet irradiation of aqueous 1,3-dimethyluracil results in hydration of the 5:6 double bond of the uracil ring to form 1,3-dimethyl-6-oxy-hydrouracil. 1,3-Dimethyluracil is suitable reagent used to investigate the steady-state absorption and fluorescence spectra of uracil derivatives.It may be used in the preparation of 2,6-dihydroxynicotinamide.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidones
Alternative Parents	Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - 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 pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	pyrimidone
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(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488184480
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184480
IUPAC Name	1,3-dimethylpyrimidine-2,4-dione
INCHI	InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
InChIKey	JSDBKAHWADVXFU-UHFFFAOYSA-N
Smiles	CN1C=CC(=O)N(C1=O)C
Isomeric SMILES	CN1C=CC(=O)N(C1=O)C
WGK Germany	3
Molecular Weight	140.14
Beilstein	124074
Reaxy-Rn	124074
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124074&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
D1625136	Certificate of Analysis	Dec 15, 2023	D124271
C2209677	Certificate of Analysis	Feb 09, 2022	D124271
C2209357	Certificate of Analysis	Feb 09, 2022	D124271
F2317983	Certificate of Analysis	Feb 09, 2022	D124271
F2317994	Certificate of Analysis	Feb 09, 2022	D124271
C2209392	Certificate of Analysis	Feb 09, 2022	D124271
C2209356	Certificate of Analysis	Feb 09, 2022	D124271
C2209371	Certificate of Analysis	Feb 09, 2022	D124271

Chemical and Physical Properties

Melt Point(°C)	119-122°C
Molecular Weight	140.140 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.059 Da
Monoisotopic Mass	140.059 Da
Topological Polar Surface Area	40.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	210.000
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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