2-[(2S)-2-methoxybutan-2-yl]pyrazine

C9H14N2O — CID 97049922

IUPAC2-[(2S)-2-methoxybutan-2-yl]pyrazine
SMILESCC[C@](C)(OC)c1cnccn1
InChIInChI=1S/C9H14N2O/c1-4-9(2,12-3)8-7-10-5-6-11-8/h5-7H,4H2,1-3H3/t9-/m0/s1
InChIKeyIFTFXWIBIUQFFC-VIFPVBQESA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2S)-2-methoxybutan-2-yl]pyrazine

2-[(2S)-2-methoxybutan-2-yl]pyrazine (PubChem CID 97049922) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2S)-2-methoxybutan-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-2-methoxybutan-2-yl]pyrazine
PubChem CID97049922
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2S)-2-methoxybutan-2-yl]pyrazine
SMILESCC[C@](C)(OC)c1cnccn1
InChIInChI=1S/C9H14N2O/c1-4-9(2,12-3)8-7-10-5-6-11-8/h5-7H,4H2,1-3H3/t9-/m0/s1
InChIKeyIFTFXWIBIUQFFC-VIFPVBQESA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-pyrazin-2-ylpropan-2-ol
CID 63967745
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
CID 115401177
ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
(2R)-2-amino-2-pyrazin-2-ylpropan-1-ol
CID 55292207
methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
CID 66099125
2-methoxy-2-methyl-1-pyrazin-2-ylbutan-1-amine
CID 116757517
2-pyrazin-2-ylheptan-2-ol
CID 80558599
1,1,1-trifluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine
CID 66205145
N-ethyl-4-methyl-4-pyrazin-2-ylpentan-2-amine
CID 64718077
2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole
CID 116782788
5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
CID 135257444

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methoxybutan-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-2-methoxybutan-2-yl]pyrazine (CID 97049922) is 2-[(2S)-2-methoxybutan-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-2-methoxybutan-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-2-methoxybutan-2-yl]pyrazine is CC[C@](C)(OC)c1cnccn1.
What is the InChIKey of 2-[(2S)-2-methoxybutan-2-yl]pyrazine?
The InChIKey is IFTFXWIBIUQFFC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-9(2,12-3)8-7-10-5-6-11-8/h5-7H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-methoxybutan-2-yl]pyrazine?
2-[(2S)-2-methoxybutan-2-yl]pyrazine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methoxybutan-2-yl]pyrazine is sourced from PubChem (CID 97049922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).