3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid

C14H18N4O6 — CID 24860727

IUPAC3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)c(C(=O)O)nc1N1CCOCC1
InChIInChI=1S/C14H18N4O6/c19-13(20)9-11(17-1-5-23-6-2-17)15-10(14(21)22)12(16-9)18-3-7-24-8-4-18/h1-8H2,(H,19,20)(H,21,22)
InChIKeyUMOLRCPZLYGQPZ-UHFFFAOYSA-N
MW338.32 g/mol
LogP-0.45
Rot. Bonds4

About 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid

3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid (PubChem CID 24860727) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid
PubChem CID24860727
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Name3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)c(C(=O)O)nc1N1CCOCC1
InChIInChI=1S/C14H18N4O6/c19-13(20)9-11(17-1-5-23-6-2-17)15-10(14(21)22)12(16-9)18-3-7-24-8-4-18/h1-8H2,(H,19,20)(H,21,22)
InChIKeyUMOLRCPZLYGQPZ-UHFFFAOYSA-N
XLogP-0.45
TPSA125.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ME 3-Amino-6-CL-5-(4-(2-ethoxy-2-oxoethyl)-1-piperazinyl)-2-pyrazinecarboxylate
CID 45054371
3-Amino-6-morpholin-4-yl-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443497
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
3,6-Di(piperazin-1-yl)pyrazine-2,5-dicarboxylic acid
CID 24860790
3,6-Dithiomorpholin-4-ylpyrazine-2,5-dicarboxylic acid
CID 24860791
3,6-Bis(1-oxo-1,4-thiazinan-4-yl)pyrazine-2,5-dicarboxylic acid
CID 24860792
6-[Bis(2-methoxyethyl)amino]-3-chloro-5-isocyanopyrazine-2-carboxylic acid
CID 57815071
3,5-Dithiomorpholin-4-ylpyrazine-2,6-dicarboxylic acid
CID 67369827
3,5-Di(piperazin-1-yl)pyrazine-2,6-dicarboxylic acid
CID 67369836
3,5-Dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid
CID 67371819
3-(Azetidin-1-yl)-6-(diethylamino)pyrazine-2,5-dicarboxylic acid
CID 67978994

Frequently Asked Questions

What is the IUPAC name of 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid (CID 24860727) is 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid is O=C(O)c1nc(N2CCOCC2)c(C(=O)O)nc1N1CCOCC1.
What is the InChIKey of 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid?
The InChIKey is UMOLRCPZLYGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c19-13(20)9-11(17-1-5-23-6-2-17)15-10(14(21)22)12(16-9)18-3-7-24-8-4-18/h1-8H2,(H,19,20)(H,21,22).
What are the key properties of 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid?
3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid has a molecular weight of 338.32 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimorpholin-4-ylpyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 24860727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).