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1,3-Dimethyluracil (Standard)

CAT: 0804-HY-W008343RSize: 1 EachDry Ice: NoHazardous: No
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Description
1,3-Dimethyluracil is a pyrimidone derives from a uracil. 1,3-Dimethyluracil found occasionally in human urine. 1,3-Dimethyluracil shows inhibition activity against hCA I and hCA II (human carbonic anhydrase) with Ki of 316.2 μM and 166.4 μM, respectively[1][2].
CAS Number
874-14-6
UNSPSC
12352005
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Smiles
CN1C=CC(=O)N(C)C1=O
Molecular Formula
C6H8N2O2
Molecular Weight
140.14
References & Citations
[1]Stoessel D, et al. Promising Metabolite Profiles in the Plasma and CSF of Early Clinical Parkinson's Disease. Front Aging Neurosci. 2018 Mar 5;10:51.|[2]Güney M, et al. Synthesis and carbonic anhydrase inhibitory properties of novel uracil derivatives. Bioorg Med Chem Lett. 2015 Aug 15;25 (16) :3261-3.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

1,3-Dimethyluracil

1,3-dimethyluracil is a pyrimidone that is uracil with methyl group substituents at positions 1 and 3. It has a role as a metabolite. It is functionally related to a uracil.

CAS Number874-14-6
PubChem CID70122
IUPAC Name1,3-dimethylpyrimidine-2,4-dione
Molecular FormulaC6H8N2O2
Molecular Weight140.14
XLogP-0.5
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity210
SMILES
CN1C=CC(=O)N(C1=O)C
InChI
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
InChIKey
JSDBKAHWADVXFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethyluracil
CAS: 874-14-6
CID: 70122
Formula: C6H8N2O2
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass140.058577502
Monoisotopic Mass140.058577502
Topological Polar Surface Area40.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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