2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine

C13H22N2O — CID 169491474

IUPAC2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine
SMILESCC[C@H](C)c1ncc(CC(C)C)nc1OC
InChIInChI=1S/C13H22N2O/c1-6-10(4)12-13(16-5)15-11(8-14-12)7-9(2)3/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyIDHPEMYHBNUQMC-JTQLQIEISA-N
MW222.33 g/mol
LogP3.20
Rot. Bonds5

About 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine

2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine (PubChem CID 169491474) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine
PubChem CID169491474
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine
SMILESCC[C@H](C)c1ncc(CC(C)C)nc1OC
InChIInChI=1S/C13H22N2O/c1-6-10(4)12-13(16-5)15-11(8-14-12)7-9(2)3/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyIDHPEMYHBNUQMC-JTQLQIEISA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Pyrazine, 2-methoxy-3-(4-methylpentyl)-
CID 111647
2-Methoxy-3-isopropyl-5-methylpyrazine
CID 15590168
2-Isopropyl-5-methoxypyrazine
CID 92558
2-Isopropyl-6-methoxypyrazine
CID 106441
3-(3-Methoxy-pyrazin-2-yl)-1-aza-bicyclo[2.2.2]octane
CID 10466019
5-Isobutyl-3-methyl-2-methoxypyrazine
CID 528135

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine?
The IUPAC name of 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine (CID 169491474) is 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine?
The canonical SMILES for 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine is CC[C@H](C)c1ncc(CC(C)C)nc1OC.
What is the InChIKey of 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine?
The InChIKey is IDHPEMYHBNUQMC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O/c1-6-10(4)12-13(16-5)15-11(8-14-12)7-9(2)3/h8-10H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine?
2-[(2S)-butan-2-yl]-3-methoxy-5-(2-methylpropyl)pyrazine has a molecular weight of 222.33 g/mol, XLogP of 3.20, 5 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-methoxy-5-(2-methylpropyl)pyrazine is sourced from PubChem (CID 169491474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).