chempirical

1-Methyluracil

C5H6N2O2CAS 615-77-0126.11 g/mol

Open in Covalent MOL file
NOHNO
Phenol

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
237 °C
logP
-0.51Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
615-77-0
SMILES
Cn1ccc(O)nc1=O
InChIKey
XBCXJKGHPABGSD-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

Weigh it out

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

Names and synonyms

9 names
  • 2,4(1H,3H)-Pyrimidinedione, 1-methyl-
  • Uracil, 1-methyl-
  • 1-Methyl-2,4(1H,3H)-pyrimidinedione
  • N1-Methyluracil
  • NSC 44432
  • Pseudothymine
  • 1-Methyl-1H,3H-pyrimidine-2,4-dione
  • 1-Methylpyrimidine-2,4-dione
  • 1-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Work with 1-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

6-Amino-1-methyluracil2434-53-943 % similar Uracil arabinoside3083-77-041 % similar Uridine58-96-841 % similar Deoxyuridine951-78-040 % similar 2′-O-Methyluridine2140-76-339 % similar Theobromine83-67-039 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-038 % similar Deferiprone30652-11-038 % similar

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

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 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

Elsewhere

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