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

C8H10N4O4 — CID 15404197

IUPACdimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1nc(N)c(C(=O)OC)nc1N
InChIInChI=1S/C8H10N4O4/c1-15-7(13)3-5(9)12-4(6(10)11-3)8(14)16-2/h1-2H3,(H2,10,11)(H2,9,12)
InChIKeyWMVOEILZTMWOGR-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.79
Rot. Bonds2

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

dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate (PubChem CID 15404197) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
PubChem CID15404197
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Namedimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1nc(N)c(C(=O)OC)nc1N
InChIInChI=1S/C8H10N4O4/c1-15-7(13)3-5(9)12-4(6(10)11-3)8(14)16-2/h1-2H3,(H2,10,11)(H2,9,12)
InChIKeyWMVOEILZTMWOGR-UHFFFAOYSA-N
XLogP-0.79
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze dimethyl 3,6-diaminopyrazine-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

methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 3-amino-6-chloro-5-hydrazinylpyrazine-2-carboxylate
CID 54167356
methyl 3-amino-6-chloro-5-propan-2-ylpyrazine-2-carboxylate
CID 58333443
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 3-amino-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 134540913
methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate
CID 166484804
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate (CID 15404197) is dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate is COC(=O)c1nc(N)c(C(=O)OC)nc1N.
What is the InChIKey of dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
The InChIKey is WMVOEILZTMWOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-15-7(13)3-5(9)12-4(6(10)11-3)8(14)16-2/h1-2H3,(H2,10,11)(H2,9,12).
What are the key properties of dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate?
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate has a molecular weight of 226.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate is sourced from PubChem (CID 15404197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).