2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine

C19H26N2 — CID 134415035

IUPAC2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine
SMILESCC(C)C(C)c1cccc(-c2cncc(C(C)(C)C)n2)c1
InChIInChI=1S/C19H26N2/c1-13(2)14(3)15-8-7-9-16(10-15)17-11-20-12-18(21-17)19(4,5)6/h7-14H,1-6H3
InChIKeyVGEVNZQNWMJJSZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.20
Rot. Bonds3

About 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine

2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine (PubChem CID 134415035) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine
PubChem CID134415035
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine
SMILESCC(C)C(C)c1cccc(-c2cncc(C(C)(C)C)n2)c1
InChIInChI=1S/C19H26N2/c1-13(2)14(3)15-8-7-9-16(10-15)17-11-20-12-18(21-17)19(4,5)6/h7-14H,1-6H3
InChIKeyVGEVNZQNWMJJSZ-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine?
The IUPAC name of 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine (CID 134415035) is 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine.
What is the SMILES notation for 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine?
The canonical SMILES for 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine is CC(C)C(C)c1cccc(-c2cncc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine?
The InChIKey is VGEVNZQNWMJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)14(3)15-8-7-9-16(10-15)17-11-20-12-18(21-17)19(4,5)6/h7-14H,1-6H3.
What are the key properties of 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine?
2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine has a molecular weight of 282.43 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-(3-methylbutan-2-yl)phenyl]pyrazine is sourced from PubChem (CID 134415035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).