chempirical

2,6-Dimethyl-4(3H)-pyrimidinone

C6H8N2OCAS 6622-92-0124.14 g/mol

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OHNN
Phenol

Properties

Molecular formula
C6H8N2O
Molar mass
124.14 g/mol
Exact mass
124.0637 Da
Melting point
190–194 °C
Boiling point
111 °C (at 0.5 Torr)
logP
0.80Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
6622-92-0
SMILES
Cc1cc(O)nc(C)n1
InChIKey
UQFHLJKWYIJISA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)

Weigh it out

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

Names and synonyms

10 names
  • 4(3H)-Pyrimidinone, 2,6-dimethyl-
  • 4(1H)-Pyrimidinone, 2,6-dimethyl-
  • 2,4-Dimethyl-6-hydroxypyrimidine
  • 6-Hydroxy-2,4-dimethylpyrimidine
  • 4-Hydroxy-2,6-dimethylpyrimidine
  • 2,6-Dimethyl-4-hydroxypyrimidine
  • 2,6-Dimethylpyrimidin-4-one
  • 2,6-Dimethyl-4-pyrimidinol
  • NSC 54507
  • 2,6-Dimethyl-1H-pyrimidin-4-one

Work with 2,6-Dimethyl-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

Methylthiouracil56-04-257 % similar 6-Amino-2-methyl-4(3H)-pyrimidinone767-16-857 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-756 % similar 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-253 % similar 4-Chloro-2,6-dimethylpyrimidine4472-45-150 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-646 % similar 6-Methyl-4(3H)-pyrimidinone3524-87-646 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-846 % similar

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

Same formula

2-Amino-5-methoxypyridine10167-97-2 2-Amino-4-methoxypyridine10201-73-7 (2-Aminopyridin-4-yl)methanol105250-17-7 2-Hydroxy-4,6-dimethylpyrimidine108-79-2 (6-Amino-3-pyridinyl)methanol113293-71-3 4-Aminopyridine-3-methanol138116-34-4 Bis(2-cyanoethyl) ether1656-48-0 2-Methoxy-3-pyridinamine20265-38-7

Elsewhere

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