dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate

C10H12N2O4 — CID 3409976

IUPACdimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1nc(C)c(C(=O)OC)nc1C
InChIInChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h1-4H3
InChIKeySYEIZIOPUYDNGY-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.67
Rot. Bonds2

About dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate

dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate (PubChem CID 3409976) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
PubChem CID3409976
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namedimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1nc(C)c(C(=O)OC)nc1C
InChIInChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h1-4H3
InChIKeySYEIZIOPUYDNGY-UHFFFAOYSA-N
XLogP0.67
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 3,6-dimethylpyrazine-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

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate (CID 3409976) is dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate is COC(=O)c1nc(C)c(C(=O)OC)nc1C.
What is the InChIKey of dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate?
The InChIKey is SYEIZIOPUYDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h1-4H3.
What are the key properties of dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate?
dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6-dimethylpyrazine-2,5-dicarboxylate is sourced from PubChem (CID 3409976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).