2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine

C21H31N3 — CID 138605605

IUPAC2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine
SMILESCC(C)c1cc(CC(C)c2cncc(C(C)C)n2)cc(C(C)C)n1
InChIInChI=1S/C21H31N3/c1-13(2)18-9-17(10-19(23-18)14(3)4)8-16(7)21-12-22-11-20(24-21)15(5)6/h9-16H,8H2,1-7H3
InChIKeyIVMNEXUEHOKPJM-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.59
Rot. Bonds6

About 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine

2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine (PubChem CID 138605605) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine
PubChem CID138605605
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine
SMILESCC(C)c1cc(CC(C)c2cncc(C(C)C)n2)cc(C(C)C)n1
InChIInChI=1S/C21H31N3/c1-13(2)18-9-17(10-19(23-18)14(3)4)8-16(7)21-12-22-11-20(24-21)15(5)6/h9-16H,8H2,1-7H3
InChIKeyIVMNEXUEHOKPJM-UHFFFAOYSA-N
XLogP5.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine?
The IUPAC name of 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine (CID 138605605) is 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine.
What is the SMILES notation for 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine?
The canonical SMILES for 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine is CC(C)c1cc(CC(C)c2cncc(C(C)C)n2)cc(C(C)C)n1.
What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine?
The InChIKey is IVMNEXUEHOKPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-13(2)18-9-17(10-19(23-18)14(3)4)8-16(7)21-12-22-11-20(24-21)15(5)6/h9-16H,8H2,1-7H3.
What are the key properties of 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine?
2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine has a molecular weight of 325.50 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine is sourced from PubChem (CID 138605605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).