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3,5-Dimethyluracil
[CAS 4160-77-4]

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Identification
Classification Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Urinary (urea) pyrimidine
Name 3,5-Dimethyluracil
Synonyms 3,5-Dimethyluracil; 2,4(1H,3H)-Pyrimidinedione,3,5-Dimethyl-; 3-Methylthymine
Molecular Structure CAS#: 4160-77-4, 3,5-Dimethyluracil
Molecular Formula C6H8N2O2
Molecular Weight 140.14
CAS Registry Number 4160-77-4
SMILES CN1C(=O)C(=CNC1=O)C
InChI 1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3H,1-2H3,(H,7,10)
InChIKey IIDONYMEGWHGRU-UHFFFAOYSA-N
Properties
Density 1.189g/cm3 (Cal.)
References
(1) Mihajlo Etinski and Christel M. Marian. Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine, Phys. Chem. Chem. Phys., 2010, 12, 4915.
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