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

C20H32N2O4 — CID 170966120

IUPAC2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine
SMILESCC(C)c1nc(CCOCC2CO2)c(C(C)C)nc1CCOCC1CO1
InChIInChI=1S/C20H32N2O4/c1-13(2)19-17(5-7-23-9-15-11-25-15)22-20(14(3)4)18(21-19)6-8-24-10-16-12-26-16/h13-16H,5-12H2,1-4H3
InChIKeyKCUPDNMRJYNOPG-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.64
Rot. Bonds12

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

2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine (PubChem CID 170966120) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine
PubChem CID170966120
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine
SMILESCC(C)c1nc(CCOCC2CO2)c(C(C)C)nc1CCOCC1CO1
InChIInChI=1S/C20H32N2O4/c1-13(2)19-17(5-7-23-9-15-11-25-15)22-20(14(3)4)18(21-19)6-8-24-10-16-12-26-16/h13-16H,5-12H2,1-4H3
InChIKeyKCUPDNMRJYNOPG-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine?
The IUPAC name of 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine (CID 170966120) is 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine.
What is the SMILES notation for 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine?
The canonical SMILES for 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine is CC(C)c1nc(CCOCC2CO2)c(C(C)C)nc1CCOCC1CO1.
What is the InChIKey of 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine?
The InChIKey is KCUPDNMRJYNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13(2)19-17(5-7-23-9-15-11-25-15)22-20(14(3)4)18(21-19)6-8-24-10-16-12-26-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine?
2,5-bis[2-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine has a molecular weight of 364.49 g/mol, XLogP of 2.64, 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-(oxiran-2-ylmethoxy)ethyl]-3,6-di(propan-2-yl)pyrazine is sourced from PubChem (CID 170966120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).