FComEx: 1,3-Dimethyluracil (PC000830)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:57 UTC

Update date

2017-01-19 02:36:37 UTC

FoodComEx ID

PC000830

FoodDB Record

FDB022866

Chemical Information

Name

1,3-Dimethyluracil

Description

1,3-Dimethyluracil is a methyl derivative of uric acid, found occasionally in human urine. 1,3-Dimethyluracil is one of the purine component in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820) [HMDB]

CAS Number

874-14-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1, 3-dimethyl-2,4(1H,3H)-Pyrimidinedione	hmdb
1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione	hmdb
2,4-Dihydroxy-1,3-dimethylpyrimidine	hmdb
N,n'-dimethyluracil	hmdb
N1,N3-Dimethyluracil	hmdb

Chemical Formula

C6H8N2O2

IUPAC name

1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

InChI Identifier

InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

InChI Key

JSDBKAHWADVXFU-UHFFFAOYSA-N

Isomeric SMILES

CN1C=CC(=O)N(C)C1=O

Average Molecular Weight

140.1399

Monoisotopic Molecular Weight

140.05857751

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones 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.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents