2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine

C20H32N2O4 — CID 170966124

IUPAC2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCC(C)Cc1nc(COCC2CO2)c(CC(C)C)nc1COCC1CO1
InChIInChI=1S/C20H32N2O4/c1-13(2)5-17-19(11-23-7-15-9-25-15)22-18(6-14(3)4)20(21-17)12-24-8-16-10-26-16/h13-16H,5-12H2,1-4H3
InChIKeyNDQOVXCYCJLYSL-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.70
Rot. Bonds12

About 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine

2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (PubChem CID 170966124) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
PubChem CID170966124
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCC(C)Cc1nc(COCC2CO2)c(CC(C)C)nc1COCC1CO1
InChIInChI=1S/C20H32N2O4/c1-13(2)5-17-19(11-23-7-15-9-25-15)22-18(6-14(3)4)20(21-17)12-24-8-16-10-26-16/h13-16H,5-12H2,1-4H3
InChIKeyNDQOVXCYCJLYSL-UHFFFAOYSA-N
XLogP2.70
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
CID 170966112
2,5-Dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
CID 170966144
2,5-Diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966160
2,5-Dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966163
2,5-Dibutyl-3-(ethoxymethyl)-6-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966166

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The IUPAC name of 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (CID 170966124) is 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The canonical SMILES for 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is CC(C)Cc1nc(COCC2CO2)c(CC(C)C)nc1COCC1CO1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The InChIKey is NDQOVXCYCJLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13(2)5-17-19(11-23-7-15-9-25-15)22-18(6-14(3)4)20(21-17)12-24-8-16-10-26-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine has a molecular weight of 364.49 g/mol, XLogP of 2.70, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is sourced from PubChem (CID 170966124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).