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

C20H32N2O4 — CID 170966163

IUPAC2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCCCc1nc(COCC2CO2)c(CCCC)nc1COCC1CO1
InChIInChI=1S/C20H32N2O4/c1-3-5-7-17-19(13-23-9-15-11-25-15)22-18(8-6-4-2)20(21-17)14-24-10-16-12-26-16/h15-16H,3-14H2,1-2H3
InChIKeyNNYRULPNGHCORX-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.99
Rot. Bonds14

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

2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (PubChem CID 170966163) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.

Molecular Properties

Compound Name2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
PubChem CID170966163
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCCCc1nc(COCC2CO2)c(CCCC)nc1COCC1CO1
InChIInChI=1S/C20H32N2O4/c1-3-5-7-17-19(13-23-9-15-11-25-15)22-18(8-6-4-2)20(21-17)14-24-10-16-12-26-16/h15-16H,3-14H2,1-2H3
InChIKeyNNYRULPNGHCORX-UHFFFAOYSA-N
XLogP2.99
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.99
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

2,3,5-Trimethyl-6-(oxolan-2-yl)pyrazine
CID 89925220
2,3,5-Triethyl-6-(oxolan-2-yl)pyrazine
CID 130458663
2,5-Bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
CID 170966112
2,5-Bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966124
2-(Ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966141
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-(ethoxymethyl)-6-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966166
[5-(Acetyloxymethyl)-3,6-dihexylpyrazin-2-yl]methyl acetate
CID 60170796

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The IUPAC name of 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (CID 170966163) is 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.
What is the SMILES notation for 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The canonical SMILES for 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is CCCCc1nc(COCC2CO2)c(CCCC)nc1COCC1CO1.
What is the InChIKey of 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The InChIKey is NNYRULPNGHCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-3-5-7-17-19(13-23-9-15-11-25-15)22-18(8-6-4-2)20(21-17)14-24-10-16-12-26-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine has a molecular weight of 364.49 g/mol, XLogP of 2.99, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is sourced from PubChem (CID 170966163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).