chempirical

Isopropyl methoxypyrazine

C8H12N2OCAS 25773-40-4152.20 g/mol

Open in Covalent MOL file
ONN
Ether

Properties

Molecular formula
C8H12N2O
Molar mass
152.20 g/mol
Exact mass
152.0950 Da
logP
1.61Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,452 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
25773-40-4
SMILES
COc1nccnc1C(C)C
InChIKey
NTOPKICPEQUPPH-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Pyrazine, 2-methoxy-3-(1-methylethyl)-
  • Pyrazine, 2-isopropyl-3-methoxy-
  • 2-Methoxy-3-(1-methylethyl)pyrazine
  • 2-Methoxy-3-isopropylpyrazine
  • 2-Isopropyl-3-methoxypyrazine
  • 3-Isopropyl-2-methoxypyrazine
  • 3-Methoxy-2-isopropylpyrazine
  • 2-Methoxy-3-propan-2-ylpyrazine
  • 2-Methoxy-3-(propan-2-yl)pyrazine

Work with Isopropyl 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-sec-Butyl-3-methoxypyrazine24168-70-559 % similar 2-Ethoxy-3-isopropylpyrazine72797-16-158 % similar 2-Methoxy-3-methylpyrazine2847-30-550 % similar 3-Isobutyl-2-methoxypyrazine24683-00-948 % similar 2-Ethyl-3-methoxypyrazine25680-58-444 % similar 2,3-Dimethoxypyridine52605-97-741 % similar 3-Bromo-2-methoxypyridine13472-59-839 % similar 2-Methoxy-3-pyridinamine20265-38-739 % similar

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

Same formula

2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-4 β-Oxo-1-piperidinepropanenitrile15029-30-8 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-2 2-Ethoxy-3-ethylpyrazine35243-43-7 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole449758-17-2 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-5 4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-3 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one771579-27-2

Elsewhere

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