2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine

C16H20N2O2 — CID 166306398

IUPAC2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine
SMILESCOCOc1ccc(C(C)(C)C)cc1-c1cnccn1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)12-5-6-15(20-11-19-4)13(9-12)14-10-17-7-8-18-14/h5-10H,11H2,1-4H3
InChIKeyUPWOFHLGMZEMCG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.42
Rot. Bonds4

About 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine

2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine (PubChem CID 166306398) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine
PubChem CID166306398
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine
SMILESCOCOc1ccc(C(C)(C)C)cc1-c1cnccn1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)12-5-6-15(20-11-19-4)13(9-12)14-10-17-7-8-18-14/h5-10H,11H2,1-4H3
InChIKeyUPWOFHLGMZEMCG-UHFFFAOYSA-N
XLogP3.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine?
The IUPAC name of 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine (CID 166306398) is 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine.
What is the SMILES notation for 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine?
The canonical SMILES for 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine is COCOc1ccc(C(C)(C)C)cc1-c1cnccn1.
What is the InChIKey of 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine?
The InChIKey is UPWOFHLGMZEMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)12-5-6-15(20-11-19-4)13(9-12)14-10-17-7-8-18-14/h5-10H,11H2,1-4H3.
What are the key properties of 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine?
2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine has a molecular weight of 272.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(methoxymethoxy)phenyl]pyrazine is sourced from PubChem (CID 166306398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).