chempirical

3-Isobutyl-2-methoxypyrazine

C9H14N2OCAS 24683-00-9166.22 g/mol

Open in Covalent MOL file
ONN
Ether

Properties

Molecular formula
C9H14N2O
Molar mass
166.22 g/mol
Exact mass
166.1106 Da
logP
1.68Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
24683-00-9
SMILES
COc1nccnc1CC(C)C
InChIKey
UXFSPRAGHGMRSQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Pyrazine, 2-methoxy-3-(2-methylpropyl)-
  • Pyrazine, 2-isobutyl-3-methoxy-
  • 2-Methoxy-3-(2-methylpropyl)pyrazine
  • 2-Methoxy-3-isobutylpyrazine
  • 2-Isobutyl-3-methoxypyrazine
  • 3-Methoxy-2-isobutylpyrazine

Work with 3-Isobutyl-2-methoxypyrazine

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-Isobutyl-3-methylpyrazine13925-06-958 % similar 2-Ethyl-3-methoxypyrazine25680-58-458 % similar Isopropyl methoxypyrazine25773-40-448 % similar 2-Methoxy-3-methylpyrazine2847-30-545 % similar Isobutylpyrazine29460-92-240 % similar 3-Bromo-2-methoxypyridine13472-59-836 % similar 2-Isobutylthiazole18640-74-936 % similar 2-Methoxy-3-pyridinamine20265-38-736 % similar

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

Same formula

2-sec-Butyl-3-methoxypyrazine24168-70-5 4-Propoxy-1,2-benzenediamine56190-17-1 2-Ethoxy-3-isopropylpyrazine72797-16-1

Elsewhere

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