3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid

C8H10N4O4 — CID 70894835

IUPAC3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N)nc1C(=O)O
InChIInChI=1S/C8H10N4O4/c1-12(2)6-4(8(15)16)10-5(9)3(11-6)7(13)14/h1-2H3,(H2,9,10)(H,13,14)(H,15,16)
InChIKeyUZAGTUQDLIWGHW-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.48
Rot. Bonds3

About 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid

3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid (PubChem CID 70894835) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid
PubChem CID70894835
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid
SMILESCN(C)c1nc(C(=O)O)c(N)nc1C(=O)O
InChIInChI=1S/C8H10N4O4/c1-12(2)6-4(8(15)16)10-5(9)3(11-6)7(13)14/h1-2H3,(H2,9,10)(H,13,14)(H,15,16)
InChIKeyUZAGTUQDLIWGHW-UHFFFAOYSA-N
XLogP-0.48
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Diamino-6-chloro-pyrazine acid
CID 6452119
3-Amino-5,6-dimethylpyrazine-2-carboxylic acid
CID 222764
3,6-diaminopyrazine-2,5-dicarboxylic Acid
CID 11127226
3,5-Diamino-6-fluoropyrazine-2-carboxylic acid
CID 20355855
3-Amino-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443019
3-Amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443497
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
Methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate
CID 148550292
3-Amino-5-(diethylamino)pyrazine-2-carboxylic acid
CID 168295540
3,6-Bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid
CID 11508473
3,6-Bis(dimethylamino)pyrazine-2,5-dicarboxylic acid
CID 11644546
3,6-Bis[bis(2-hydroxyethyl)amino]pyrazine-2,5-dicarboxylic acid
CID 11646466

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid (CID 70894835) is 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid is CN(C)c1nc(C(=O)O)c(N)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid?
The InChIKey is UZAGTUQDLIWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-12(2)6-4(8(15)16)10-5(9)3(11-6)7(13)14/h1-2H3,(H2,9,10)(H,13,14)(H,15,16).
What are the key properties of 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid?
3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(dimethylamino)pyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 70894835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).