6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine

C11H19N3O3 — CID 103176525

IUPAC6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine
SMILESCNc1cncc(OCCOCCCOC)n1
InChIInChI=1S/C11H19N3O3/c1-12-10-8-13-9-11(14-10)17-7-6-16-5-3-4-15-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyNYPODQIVROJARG-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.95
Rot. Bonds9

About 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine

6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine (PubChem CID 103176525) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine
PubChem CID103176525
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine
SMILESCNc1cncc(OCCOCCCOC)n1
InChIInChI=1S/C11H19N3O3/c1-12-10-8-13-9-11(14-10)17-7-6-16-5-3-4-15-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyNYPODQIVROJARG-UHFFFAOYSA-N
XLogP0.95
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine?
The IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine (CID 103176525) is 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine is CNc1cncc(OCCOCCCOC)n1.
What is the InChIKey of 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine?
The InChIKey is NYPODQIVROJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-12-10-8-13-9-11(14-10)17-7-6-16-5-3-4-15-2/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine?
6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103176525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).