5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine

C13H15N3O — CID 46948148

IUPAC5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine
SMILESCCOc1ccccc1-c1cnc(NC)cn1
InChIInChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-16-13(14-2)9-15-11/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyPGZLWVMMJGDGSB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.58
Rot. Bonds4

About 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine

5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine (PubChem CID 46948148) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine
PubChem CID46948148
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine
SMILESCCOc1ccccc1-c1cnc(NC)cn1
InChIInChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-16-13(14-2)9-15-11/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyPGZLWVMMJGDGSB-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine (CID 46948148) is 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine is CCOc1ccccc1-c1cnc(NC)cn1.
What is the InChIKey of 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine?
The InChIKey is PGZLWVMMJGDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-16-13(14-2)9-15-11/h4-9H,3H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine?
5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 46948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).