5-bromo-3-morpholin-4-ylpyrazin-2-amine

C8H11BrN4O — CID 16740441

IUPAC5-bromo-3-morpholin-4-ylpyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCOCC1
InChIInChI=1S/C8H11BrN4O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11)
InChIKeyCWVGSOUZYXNHLF-UHFFFAOYSA-N
MW259.11 g/mol
LogP0.66
Rot. Bonds1

About 5-bromo-3-morpholin-4-ylpyrazin-2-amine

5-bromo-3-morpholin-4-ylpyrazin-2-amine (PubChem CID 16740441) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-bromo-3-morpholin-4-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-morpholin-4-ylpyrazin-2-amine
PubChem CID16740441
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name5-bromo-3-morpholin-4-ylpyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCOCC1
InChIInChI=1S/C8H11BrN4O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11)
InChIKeyCWVGSOUZYXNHLF-UHFFFAOYSA-N
XLogP0.66
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-morpholin-4-ylpyrazin-2-amine?
The IUPAC name of 5-bromo-3-morpholin-4-ylpyrazin-2-amine (CID 16740441) is 5-bromo-3-morpholin-4-ylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-morpholin-4-ylpyrazin-2-amine?
The canonical SMILES for 5-bromo-3-morpholin-4-ylpyrazin-2-amine is Nc1ncc(Br)nc1N1CCOCC1.
What is the InChIKey of 5-bromo-3-morpholin-4-ylpyrazin-2-amine?
The InChIKey is CWVGSOUZYXNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c9-6-5-11-7(10)8(12-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11).
What are the key properties of 5-bromo-3-morpholin-4-ylpyrazin-2-amine?
5-bromo-3-morpholin-4-ylpyrazin-2-amine has a molecular weight of 259.11 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-morpholin-4-ylpyrazin-2-amine is sourced from PubChem (CID 16740441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).