2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine

C8H12BrN3O — CID 167350958

IUPAC2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine
SMILESCNCCOc1ncc(Br)nc1C
InChIInChI=1S/C8H12BrN3O/c1-6-8(13-4-3-10-2)11-5-7(9)12-6/h5,10H,3-4H2,1-2H3
InChIKeyUYLJIUVWHFMDBT-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.15
Rot. Bonds4

About 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine

2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine (PubChem CID 167350958) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine
PubChem CID167350958
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine
SMILESCNCCOc1ncc(Br)nc1C
InChIInChI=1S/C8H12BrN3O/c1-6-8(13-4-3-10-2)11-5-7(9)12-6/h5,10H,3-4H2,1-2H3
InChIKeyUYLJIUVWHFMDBT-UHFFFAOYSA-N
XLogP1.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine (CID 167350958) is 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine is CNCCOc1ncc(Br)nc1C.
What is the InChIKey of 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine?
The InChIKey is UYLJIUVWHFMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-6-8(13-4-3-10-2)11-5-7(9)12-6/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine?
2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine has a molecular weight of 246.11 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methylpyrazin-2-yl)oxy-N-methylethanamine is sourced from PubChem (CID 167350958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).