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874-14-6 | 1,3-Dimethyluracil
CAS No: 874-14-6 Catalog No: AG003DKK MDL No:MFCD00038065
Product Description
Catalog Number:
AG003DKK
Chemical Name:
1,3-Dimethyluracil
CAS Number:
874-14-6
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00038065
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
InChI Key:
JSDBKAHWADVXFU-UHFFFAOYSA-N
SMILES:
Cn1ccc(=O)n(c1=O)C
EC Number:
212-856-4
NSC Number:
401858
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Scalar relaxation of the second kind: a potential source of information on the dynamics of molecular movements. 1. Investigation of solution reorientation of N-methylpyridone and 1,3-dimethyluracil using measurements of longitudinal relaxation rates in the rotating frame. | The journal of physical chemistry. A 20121004 |
| Ionization of dimethyluracil dimers leads to facile proton transfer in the absence of hydrogen bonds. | Nature chemistry 20120318 |
| Heavy atom effects in the Paternò-Büchi reaction of pyrimidine derivatives with 4,4'-disubstituted benzophenones. | Beilstein journal of organic chemistry 20110101 |
| Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine. | Physical chemistry chemical physics : PCCP 20100521 |
| Zooming into pi-stacked manifolds of nucleobases: ionized states of dimethylated uracil dimers. | The journal of physical chemistry. A 20100204 |
| Uracil and thymine reactivity in the gas phase: the S(N)2 reaction and implications for electron delocalization in leaving groups. | Journal of the American Chemical Society 20091230 |
| Laser flash photolysis and magnetic field effect studies on the interaction of uracil and its derivatives with menadione and 9,10-anthraquinone. | The journal of physical chemistry. A 20081127 |
| Probing noncovalent interactions in biomolecular crystals with terahertz spectroscopy. | Chemphyschem : a European journal of chemical physics and physical chemistry 20080314 |
| Carbanions from decarboxylation of orotate analogs: stability and mechanistic implications. | Bioorganic chemistry 20070801 |
| Porous imprinted polymer membranes prepared by phase separation in compressed liquid CO2. | Analytical and bioanalytical chemistry 20070601 |
| Synthesis of pyrazolo[1,5-alpha]pyrimidinone regioisomers. | The Journal of organic chemistry 20070202 |
| Reaction of substituted pyrimidines with photochemically generated t-BuO* radicals. | Indian journal of biochemistry & biophysics 20051201 |
| [Raman spectroscopy study of 1,3-dimethyluracil and its ab initio (DFT) calculation]. | Guang pu xue yu guang pu fen xi = Guang pu 20041201 |
| Molecularly imprinted copolymer membranes functionalized by phase inversion imprinting for uracil recognition and permselective binding. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040505 |
| Model studies of the (6-4) photoproduct photoreactivation: synthesis and photosensitized splitting of uracil oxetane adducts. | Bioorganic chemistry 20031001 |
| Equilibrium of formation of the 6-carbanion of UMP, a potential intermediate in the action of OMP decarboxylase. | Journal of the American Chemical Society 20021127 |
| Photoinduced electron transfer cleavage of oxetane adducts of uracil and cytosine. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020901 |
| The acidity of uracil and uracil analogs in the gas phase: four surprisingly acidic sites and biological implications. | Journal of the American Society for Mass Spectrometry 20020801 |
| Fenton chemistry of 1,3-dimethyluracil. | Journal of the American Chemical Society 20010919 |
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