2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine

C13H22N2O — CID 11579454

IUPAC2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine
SMILESCCC(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
InChIKeyIDHPEMYHBNUQMC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.20
Rot. Bonds5

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

2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine (PubChem CID 11579454) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine
PubChem CID11579454
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine
SMILESCCC(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
InChIKeyIDHPEMYHBNUQMC-UHFFFAOYSA-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-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

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine?
The IUPAC name of 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine (CID 11579454) is 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine?
The canonical SMILES for 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine is CCC(C)c1ncc(CC(C)C)nc1OC.
What is the InChIKey of 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine?
The InChIKey is IDHPEMYHBNUQMC-UHFFFAOYSA-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.
What are the key properties of 2-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine?
2-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-butan-2-yl-3-methoxy-5-(2-methylpropyl)pyrazine is sourced from PubChem (CID 11579454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).