2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine

C16H24N2O4 — CID 170966144

IUPAC2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
SMILESCc1nc(C(C)OCC2CO2)c(C)nc1C(C)OCC1CO1
InChIInChI=1S/C16H24N2O4/c1-9-15(11(3)19-5-13-7-21-13)18-10(2)16(17-9)12(4)20-6-14-8-22-14/h11-14H,5-8H2,1-4H3
InChIKeyJSXALZZSAUMZKT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.05
Rot. Bonds8

About 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine

2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine (PubChem CID 170966144) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
PubChem CID170966144
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
SMILESCc1nc(C(C)OCC2CO2)c(C)nc1C(C)OCC1CO1
InChIInChI=1S/C16H24N2O4/c1-9-15(11(3)19-5-13-7-21-13)18-10(2)16(17-9)12(4)20-6-14-8-22-14/h11-14H,5-8H2,1-4H3
InChIKeyJSXALZZSAUMZKT-UHFFFAOYSA-N
XLogP2.05
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.05
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[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
CID 135029947
2,5-Bis(1,4-dioxan-2-yl)-3,6-dimethylpyrazine
CID 156770958
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
2,5-Dimethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966131
2-(Ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966141
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
2,5-Dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine
CID 170966167

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine (CID 170966144) is 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine is Cc1nc(C(C)OCC2CO2)c(C)nc1C(C)OCC1CO1.
What is the InChIKey of 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The InChIKey is JSXALZZSAUMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9-15(11(3)19-5-13-7-21-13)18-10(2)16(17-9)12(4)20-6-14-8-22-14/h11-14H,5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine?
2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine has a molecular weight of 308.38 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine is sourced from PubChem (CID 170966144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).