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

C10H14N2O4 — CID 20670369

IUPACdimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate
SMILESCOC(=O)C1N=C(C)C(C(=O)OC)N=C1C
InChIInChI=1S/C10H14N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h7-8H,1-4H3
InChIKeyKUQLYNHEQZATHE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.00
Rot. Bonds2

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

dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate (PubChem CID 20670369) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate
PubChem CID20670369
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namedimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate
SMILESCOC(=O)C1N=C(C)C(C(=O)OC)N=C1C
InChIInChI=1S/C10H14N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h7-8H,1-4H3
InChIKeyKUQLYNHEQZATHE-UHFFFAOYSA-N
XLogP0.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-2H-azirine-2-carboxylate
CID 12635527
methyl 3-methyl-2H-azirine-2-carboxylate
CID 15249135
methyl (2S)-3-methyl-2H-azirine-2-carboxylate
CID 102445886
ethyl (2S)-3-methyl-2H-azirine-2-carboxylate
CID 102445887
Dimethyl 3,6-dimethyl-2,3-dihydropyrazine-2,5-dicarboxylate
CID 21187041
Methyl 3-(2-methoxy-2-oxoethyl)imino-2-methylbutanoate
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Methyl 3-propan-2-yliminobutanoate
CID 54126248
Ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate
CID 158815011
methyl (2R)-3-methyl-2H-azirine-2-carboxylate
CID 11829394
Methyl 2-[3-(1-methoxy-3-methyl-1-oxobutan-2-yl)iminobutan-2-ylideneamino]-3-methylbutanoate
CID 85618086

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate (CID 20670369) is dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate is COC(=O)C1N=C(C)C(C(=O)OC)N=C1C.
What is the InChIKey of dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate?
The InChIKey is KUQLYNHEQZATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-7(9(13)15-3)12-6(2)8(11-5)10(14)16-4/h7-8H,1-4H3.
What are the key properties of dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate?
dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6-dimethyl-2,5-dihydropyrazine-2,5-dicarboxylate is sourced from PubChem (CID 20670369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).