2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine

C23H36N4O2 — CID 130223524

IUPAC2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine
SMILESCC(C)COc1cncc(C(C)CCC(C)(C)COc2cncc(C(C)C)n2)n1
InChIInChI=1S/C23H36N4O2/c1-16(2)14-28-21-12-25-11-20(27-21)18(5)8-9-23(6,7)15-29-22-13-24-10-19(26-22)17(3)4/h10-13,16-18H,8-9,14-15H2,1-7H3
InChIKeyWCDIHBQMLNQOFZ-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.41
Rot. Bonds11

About 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine

2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine (PubChem CID 130223524) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine
PubChem CID130223524
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine
SMILESCC(C)COc1cncc(C(C)CCC(C)(C)COc2cncc(C(C)C)n2)n1
InChIInChI=1S/C23H36N4O2/c1-16(2)14-28-21-12-25-11-20(27-21)18(5)8-9-23(6,7)15-29-22-13-24-10-19(26-22)17(3)4/h10-13,16-18H,8-9,14-15H2,1-7H3
InChIKeyWCDIHBQMLNQOFZ-UHFFFAOYSA-N
XLogP5.41
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine?
The IUPAC name of 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine (CID 130223524) is 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine.
What is the SMILES notation for 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine?
The canonical SMILES for 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine is CC(C)COc1cncc(C(C)CCC(C)(C)COc2cncc(C(C)C)n2)n1.
What is the InChIKey of 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine?
The InChIKey is WCDIHBQMLNQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-16(2)14-28-21-12-25-11-20(27-21)18(5)8-9-23(6,7)15-29-22-13-24-10-19(26-22)17(3)4/h10-13,16-18H,8-9,14-15H2,1-7H3.
What are the key properties of 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine?
2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine has a molecular weight of 400.57 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-5-[6-(2-methylpropoxy)pyrazin-2-yl]hexoxy]-6-propan-2-ylpyrazine is sourced from PubChem (CID 130223524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).