diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate

C14H22N2O4 — CID 11185160

IUPACdiethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate
SMILESCCOC(=O)C1(C)N=C(C)C(C)(C(=O)OCC)N=C1C
InChIInChI=1S/C14H22N2O4/c1-7-19-11(17)13(5)9(3)16-14(6,10(4)15-13)12(18)20-8-2/h7-8H2,1-6H3
InChIKeyVMUCXUJHDPFQBO-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.57
Rot. Bonds4

About diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate

diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate (PubChem CID 11185160) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate
PubChem CID11185160
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namediethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate
SMILESCCOC(=O)C1(C)N=C(C)C(C)(C(=O)OCC)N=C1C
InChIInChI=1S/C14H22N2O4/c1-7-19-11(17)13(5)9(3)16-14(6,10(4)15-13)12(18)20-8-2/h7-8H2,1-6H3
InChIKeyVMUCXUJHDPFQBO-UHFFFAOYSA-N
XLogP1.57
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2,3-dimethylazirine-2-carboxylate
CID 21766188
Ethyl 3-(2-ethoxy-2-oxoethyl)imino-2-methylbutanoate
CID 54328700
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 86227487
Ethyl 3-tert-butyliminobutanoate
CID 21785920
[3-(acetyloxymethyl)-5-ethyl-6-oxo-2H-1,4-oxazin-3-yl]methyl acetate
CID 121002904

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate?
The IUPAC name of diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate (CID 11185160) is diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate?
The canonical SMILES for diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate is CCOC(=O)C1(C)N=C(C)C(C)(C(=O)OCC)N=C1C.
What is the InChIKey of diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate?
The InChIKey is VMUCXUJHDPFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-7-19-11(17)13(5)9(3)16-14(6,10(4)15-13)12(18)20-8-2/h7-8H2,1-6H3.
What are the key properties of diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate?
diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3,5,6-tetramethylpyrazine-2,5-dicarboxylate is sourced from PubChem (CID 11185160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).