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

C10H14N4O4 — CID 15404198

IUPACdiethyl 3,6-diaminopyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(N)c(C(=O)OCC)nc1N
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)5-7(11)14-6(8(12)13-5)10(16)18-4-2/h3-4H2,1-2H3,(H2,12,13)(H2,11,14)
InChIKeyXSLXSCHIQBXUHR-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.01
Rot. Bonds4

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

diethyl 3,6-diaminopyrazine-2,5-dicarboxylate (PubChem CID 15404198) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is diethyl 3,6-diaminopyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,6-diaminopyrazine-2,5-dicarboxylate
PubChem CID15404198
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namediethyl 3,6-diaminopyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(N)c(C(=O)OCC)nc1N
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)5-7(11)14-6(8(12)13-5)10(16)18-4-2/h3-4H2,1-2H3,(H2,12,13)(H2,11,14)
InChIKeyXSLXSCHIQBXUHR-UHFFFAOYSA-N
XLogP-0.01
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethyl 5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylate
CID 13479938
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
diethyl 6-amino-2-(trichloromethyl)pyrimidine-4,5-dicarboxylate
CID 132534051
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
bis(cyanomethyl) 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404203
ethyl 2-amino-5-fluoropyrimidine-4-carboxylate
CID 130019307

Frequently Asked Questions

What is the IUPAC name of diethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The IUPAC name of diethyl 3,6-diaminopyrazine-2,5-dicarboxylate (CID 15404198) is diethyl 3,6-diaminopyrazine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The canonical SMILES for diethyl 3,6-diaminopyrazine-2,5-dicarboxylate is CCOC(=O)c1nc(N)c(C(=O)OCC)nc1N.
What is the InChIKey of diethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The InChIKey is XSLXSCHIQBXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-17-9(15)5-7(11)14-6(8(12)13-5)10(16)18-4-2/h3-4H2,1-2H3,(H2,12,13)(H2,11,14).
What are the key properties of diethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate has a molecular weight of 254.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,6-diaminopyrazine-2,5-dicarboxylate is sourced from PubChem (CID 15404198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).