2-[(2S)-butan-2-yl]-3-methoxypyrazine

C9H14N2O — CID 6951559

IUPAC2-[(2S)-butan-2-yl]-3-methoxypyrazine
SMILESCC[C@H](C)c1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyQMQDJVIJVPEQHE-ZETCQYMHSA-N
MW166.22 g/mol
LogP2.00
Rot. Bonds3

About 2-[(2S)-butan-2-yl]-3-methoxypyrazine

2-[(2S)-butan-2-yl]-3-methoxypyrazine (PubChem CID 6951559) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-3-methoxypyrazine
PubChem CID6951559
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2S)-butan-2-yl]-3-methoxypyrazine
SMILESCC[C@H](C)c1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyQMQDJVIJVPEQHE-ZETCQYMHSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutyl-3-methoxypyrazine
CID 32594
2-Isopropyl-3-methoxypyrazine
CID 33166
2-Methoxy-3-(1-methylpropyl)pyrazine
CID 520098
2-Ethyl-3-methoxypyrazine
CID 33135
2-Methoxy-3-propylpyrazine
CID 528308
2-Ethoxy-3-isopropylpyrazine
CID 175170
2-Ethoxy-3-ethylpyrazine
CID 520722
Pyrazine, 2-methoxy-3-(4-methylpentyl)-
CID 111647
2-Methoxy-3-isopropyl-5-methylpyrazine
CID 15590168
3-(3-Methoxy-pyrazin-2-yl)-1-aza-bicyclo[2.2.2]octane
CID 10466019
Pyrazine, 2-hexyl-3-methoxy
CID 528305
2-Butyl-3-methoxypyrazine
CID 528313

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-3-methoxypyrazine?
The IUPAC name of 2-[(2S)-butan-2-yl]-3-methoxypyrazine (CID 6951559) is 2-[(2S)-butan-2-yl]-3-methoxypyrazine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-3-methoxypyrazine?
The canonical SMILES for 2-[(2S)-butan-2-yl]-3-methoxypyrazine is CC[C@H](C)c1nccnc1OC.
What is the InChIKey of 2-[(2S)-butan-2-yl]-3-methoxypyrazine?
The InChIKey is QMQDJVIJVPEQHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-3-methoxypyrazine?
2-[(2S)-butan-2-yl]-3-methoxypyrazine has a molecular weight of 166.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-3-methoxypyrazine is sourced from PubChem (CID 6951559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).