293768
1-Methyluracil
99%
Synonyme(s) :
1-Methyl-2,4(1H,3H)-pyrimidinedione
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About This Item
Formule empirique (notation de Hill):
C5H6N2O2
Numéro CAS:
Poids moléculaire :
126.11
Numéro MDL:
Code UNSPSC :
12352100
ID de substance PubChem :
Nomenclature NACRES :
NA.22
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Pureté
99%
Pf
236-238 °C (lit.)
Solubilité
1 M NaOH: soluble 50 mg/mL, clear, colorless
Chaîne SMILES
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)
Clé InChI
XBCXJKGHPABGSD-UHFFFAOYSA-N
Description générale
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.
Mention d'avertissement
Warning
Mentions de danger
Conseils de prudence
Classification des risques
Carc. 2
Code de la classe de stockage
11 - Combustible Solids
Classe de danger pour l'eau (WGK)
WGK 3
Point d'éclair (°F)
Not applicable
Point d'éclair (°C)
Not applicable
Équipement de protection individuelle
dust mask type N95 (US), Eyeshields, Gloves
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Marek Boczar et al.
The Journal of chemical physics, 128(16), 164506-164506 (2008-05-02)
Theoretical simulation of the band shape and fine structure of the N-H(D) stretching band is presented for 1-methyluracil and its deuterated derivative taking into account anharmonic coupling between the high-frequency N-H(D) stretching and the low-frequency N...O stretching vibrations, resonance interaction
L F Sukhodub et al.
Biofizika, 34(2), 181-186 (1989-03-01)
The hydration of nucleotide bases of m9Ade(A), m1Ura(U) and a complementary pair A.U was studied by field ionization mass-spectrometry at room and low (170 K) temperatures in vacuum. Enthalpies of A.U-pair formation and its monohydrate A.U(H2O) were measured using temperature
W T Klooster et al.
Acta crystallographica. Section B, Structural science, 48 ( Pt 2), 217-227 (1992-04-01)
1-Methyluracil (1-methyl-2,4-dioxopyrimidine), C5H6-N2O2, M(r) = 126.12, orthorhombic, Ibam, a = 13.188 (6), b = 13.175 (5), c = 6.214 (3) A, V = 1079.7 (8) A3, Z = 8, Dx = 1.552 g cm-3, lambda (Mo K alpha) = 0.7107
A Leś et al.
Journal of biomolecular structure & dynamics, 15(4), 703-715 (1998-03-26)
Theoretical quantum mechanical ab initio Hartree-Fock calculations on molecular systems, modeling processes related to the specificity of thymidylate synthase inactivation are reported. We considered several steps of the methylation of the substrate dUMP and 4- or 5-mono- and 4,5-bisubstituted dUMP
Natalja Vogt et al.
The journal of physical chemistry. A, 117(44), 11374-11381 (2013-10-31)
As far as fundamental knowledge is concerned, the methyl derivatives of uracil can be considered as the simplest objects for studying the structural effects due to the substitution in the pyrimidyne nucleobases. From this point of view, 1-methyluracil is of
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