chempirical

6-Methyl-4(3H)-pyrimidinone

C5H6N2OCAS 3524-87-6110.12 g/mol

Open in Covalent MOL file
OHNN
Phenol

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
Melting point
210–212 °C (decomposes)
logP
0.49Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
3524-87-6
SMILES
Cc1cc(O)ncn1
InChIKey
LHRIUKSRPHFASO-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 4-Pyrimidinol, 6-methyl-
  • 4(1H)-Pyrimidinone, 6-methyl-
  • 4-Hydroxy-6-methylpyrimidine
  • 6-Methyl-4-oxopyrimidine
  • 6-Methyl-4-pyrimidinol
  • 6-Methyl-4-hydroxypyrimidine
  • 4(3H)-Pyrimidinone, 6-methyl-
  • NSC 18893
  • NSC 193523

Reactions

Work with 6-Methyl-4(3H)-pyrimidinone

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

4,6-Dihydroxypyrimidine1193-24-462 % similar 4,6-Dimethylpyrimidine1558-17-462 % similar 6-Amino-4(3H)-pyrimidinone1193-22-248 % similar 4-Chloro-6-methylpyrimidine3435-25-448 % similar 2,6-Dimethyl-4(3H)-pyrimidinone6622-92-046 % similar Methylthiouracil56-04-243 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-741 % similar 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-241 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 2-Amino-3-hydroxypyridine16867-03-1 3-Methoxypyridazine19064-65-4 3-Methyl-2(1H)-pyrazinone19838-07-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook