chempirical

6-Methyluracil

C5H6N2O2CAS 626-48-2126.11 g/mol

Open in Covalent MOL file
OHNHON
Phenol

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
275 °C (decomposes)
logP
0.20Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
626-48-2
SMILES
Cc1cc(O)nc(O)n1
InChIKey
SHVCSCWHWMSGTE-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-methyl-
  • Uracil, 6-methyl-
  • 6-Methyl-2,4(1H,3H)-pyrimidinedione
  • Pseudothymine
  • 2,4-Dihydroxy-6-methylpyrimidine
  • AWD 23-15
  • K 4
  • NSC 9456
  • 6-Methylpyrimidine-2,4-diol
  • 2-Hydroxy-6-methyl-1,4-dihydropyrimidin-4-one
  • 2-Hydroxy-6-methyl-3,4-dihydropyrimidin-4-one

Reactions

Work with 6-Methyluracil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-4,6-dimethylpyrimidine108-79-273 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-671 % similar 2,6-Dimethyl-4(3H)-pyrimidinone6622-92-062 % similar Methylthiouracil56-04-257 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-756 % similar 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-253 % similar 6-Chlorouracil4270-27-350 % similar 6-Aminouracil873-83-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7 1-Methyluracil615-77-0

Elsewhere

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