diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate

C16H26N4O6 — CID 59146554

IUPACdiethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(NCCOC)c(C(=O)OCC)nc1NCCOC
InChIInChI=1S/C16H26N4O6/c1-5-25-15(21)11-13(17-7-9-23-3)20-12(16(22)26-6-2)14(19-11)18-8-10-24-4/h5-10H2,1-4H3,(H,18,19)(H,17,20)
InChIKeyWKGPKAKWGUAQHI-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.95
Rot. Bonds12

About diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate

diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate (PubChem CID 59146554) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate
PubChem CID59146554
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Namediethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(NCCOC)c(C(=O)OCC)nc1NCCOC
InChIInChI=1S/C16H26N4O6/c1-5-25-15(21)11-13(17-7-9-23-3)20-12(16(22)26-6-2)14(19-11)18-8-10-24-4/h5-10H2,1-4H3,(H,18,19)(H,17,20)
InChIKeyWKGPKAKWGUAQHI-UHFFFAOYSA-N
XLogP0.95
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate?
The IUPAC name of diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate (CID 59146554) is diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate?
The canonical SMILES for diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate is CCOC(=O)c1nc(NCCOC)c(C(=O)OCC)nc1NCCOC.
What is the InChIKey of diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate?
The InChIKey is WKGPKAKWGUAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-5-25-15(21)11-13(17-7-9-23-3)20-12(16(22)26-6-2)14(19-11)18-8-10-24-4/h5-10H2,1-4H3,(H,18,19)(H,17,20).
What are the key properties of diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate?
diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate has a molecular weight of 370.41 g/mol, XLogP of 0.95, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,6-bis(2-methoxyethylamino)pyrazine-2,5-dicarboxylate is sourced from PubChem (CID 59146554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).