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

C16H24N2O4 — CID 170966167

IUPAC2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine
SMILESCc1nc(CCOCC2CO2)c(C)nc1CCOCC1CO1
InChIInChI=1S/C16H24N2O4/c1-11-15(3-5-19-7-13-9-21-13)18-12(2)16(17-11)4-6-20-8-14-10-22-14/h13-14H,3-10H2,1-2H3
InChIKeyVJZWIBTZDNXGCU-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.01
Rot. Bonds10

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

2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine (PubChem CID 170966167) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine
PubChem CID170966167
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine
SMILESCc1nc(CCOCC2CO2)c(C)nc1CCOCC1CO1
InChIInChI=1S/C16H24N2O4/c1-11-15(3-5-19-7-13-9-21-13)18-12(2)16(17-11)4-6-20-8-14-10-22-14/h13-14H,3-10H2,1-2H3
InChIKeyVJZWIBTZDNXGCU-UHFFFAOYSA-N
XLogP1.01
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-Bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine
CID 170966120
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine (CID 170966167) is 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine is Cc1nc(CCOCC2CO2)c(C)nc1CCOCC1CO1.
What is the InChIKey of 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine?
The InChIKey is VJZWIBTZDNXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11-15(3-5-19-7-13-9-21-13)18-12(2)16(17-11)4-6-20-8-14-10-22-14/h13-14H,3-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine?
2,5-dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine has a molecular weight of 308.38 g/mol, XLogP of 1.01, 10 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[2-(oxiran-2-ylmethoxy)ethyl]pyrazine is sourced from PubChem (CID 170966167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).