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Merck

293768

Sigma-Aldrich

1-Methyluracil

99%

Sinónimos:

1-Methyl-2,4(1H,3H)-pyrimidinedione

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About This Item

Fórmula empírica (notación de Hill):
C5H6N2O2
Número de CAS:
Peso molecular:
126.11
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

mp

236-238 °C (lit.)

solubility

1 M NaOH: soluble 50 mg/mL, clear, colorless

SMILES string

CN1C=CC(=O)NC1=O

InChI

1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

InChI key

XBCXJKGHPABGSD-UHFFFAOYSA-N

General description

1-Methyluracil is of special importance in biochemistry, since uracil attaches ribose in ribonucleic acid (RNA) just precisely at the N1 atom. H-bond complex formation between 1-methyluracil and glycine has been investigated by theoretical calculations and FT-IR spectroscopy in Ar matrices. It forms 1:1 complexes with 9-ethyl-8-bromo-2,6-diaminopurine and the complex structure has been determined by three-dimensional X-ray diffraction methods.

pictograms

Health hazard

signalword

Warning

hcodes

Hazard Classifications

Carc. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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V I Poltev et al.
Journal of biomolecular structure & dynamics, 9(1), 101-111 (1991-08-01)
A number of nucleic acid base pairs and complexes between the bases and the amide group of acrylamide have been studied experimentally by using mass spectrometry and theoretically by the method of atom-atom potential function calculations. It has been found
V I Poltev et al.
Molekuliarnaia biologiia, 29(2), 365-375 (1995-03-01)
Monte Carlo simulation of hydration of keto and enol tautomers of 9-methylguanine (G) and 1-methyluracil (U) has been performed in relation to a possible role of tautomer transitions of DNA bases in mutagenesis. The comparison of the simulation results with
R K McMullan et al.
Acta crystallographica. Section B, Structural science, 45 ( Pt 3), 270-276 (1989-06-01)
The crystal structure of 1-methylpyrimidine-2,4-dione (1-methyluracil, C5H6N2O2) has been determined at 15, 60 and 123 K from neutron diffraction data. Molecules lie in the eightfold special positions (symmetry m) of space group Ibam, with a = 13.213 (2), b =
Bram Boeckx et al.
The journal of physical chemistry. B, 116(39), 11890-11898 (2012-09-12)
The H-bond complex formation between 1-methyluracil and glycine has been investigated by theoretical calculations and the most stable complex configurations have been identified by FT-IR spectroscopy in Ar matrices. The importance of this H-bonding system is huge since all DNA
E Sagstuen et al.
Radiation research, 149(2), 120-127 (1998-02-11)
Single crystals of the co-crystalline complex of 1-methyluracil and 9-ethyladenine were X-irradiated and studied using EPR, ENDOR and FSE spectroscopic techniques at 10 K. All together seven radicals were identified, and experimental evidence for at least one more species, as

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