6-(2-ethylphenoxy)-N-methylpyrazin-2-amine

C13H15N3O — CID 80875842

IUPAC6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
SMILESCCc1ccccc1Oc1cncc(NC)n1
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-13-9-15-8-12(14-2)16-13/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyFNMWVHHHXJIBDW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.87
Rot. Bonds4

About 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine

6-(2-ethylphenoxy)-N-methylpyrazin-2-amine (PubChem CID 80875842) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
PubChem CID80875842
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
SMILESCCc1ccccc1Oc1cncc(NC)n1
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-13-9-15-8-12(14-2)16-13/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyFNMWVHHHXJIBDW-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine (CID 80875842) is 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine is CCc1ccccc1Oc1cncc(NC)n1.
What is the InChIKey of 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine?
The InChIKey is FNMWVHHHXJIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-13-9-15-8-12(14-2)16-13/h4-9H,3H2,1-2H3,(H,14,16).
What are the key properties of 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine?
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80875842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).