(2S)-(+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine

C₉H₁₆N₂O₂CAS 78342-42-4184.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆N₂O₂
Molar mass: 184.24 g/mol
Exact mass: 184.1212 Da
logP: 1.11Crippen estimate
Polar surface area: 43.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

78342-42-4

SMILES

CC(C)[C@H]1C(=NCC(=N1)OC)OC

InChIKey

FCFWEOGTZZPCTO-QMMMGPOBSA-N

InChI

InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1

Weigh it out

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Names and synonyms

1 names

(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine

Work with (2S)-(+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine109838-85-9Enantiomer

Similar compounds

N-(Methoxycarbonyl)-L-valine74761-42-534 % similar 1-Aza-2-methoxy-1-cycloheptene2525-16-833 % similar

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

Same formula

(Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone63074-07-7

Elsewhere

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