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

C14H18N4O6 — CID 67371819

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

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

3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid (PubChem CID 67371819) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid
PubChem CID67371819
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Name3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid
SMILESO=C(O)c1nc(C(=O)O)c(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C14H18N4O6/c19-13(20)9-11(17-1-5-23-6-2-17)16-12(10(15-9)14(21)22)18-3-7-24-8-4-18/h1-8H2,(H,19,20)(H,21,22)
InChIKeyDXQNHYDNTPLLNP-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid?
The IUPAC name of 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid (CID 67371819) is 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid?
The canonical SMILES for 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid is O=C(O)c1nc(C(=O)O)c(N2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid?
The InChIKey is DXQNHYDNTPLLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c19-13(20)9-11(17-1-5-23-6-2-17)16-12(10(15-9)14(21)22)18-3-7-24-8-4-18/h1-8H2,(H,19,20)(H,21,22).
What are the key properties of 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid?
3,5-dimorpholin-4-ylpyrazine-2,6-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 3,5-dimorpholin-4-ylpyrazine-2,6-dicarboxylic acid is sourced from PubChem (CID 67371819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).