6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine

C15H19N3O2 — CID 80862814

IUPAC6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-9-17-14-10-16-11-15(18-14)20-13-7-5-12(6-8-13)19-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQYAAXKOTUPCRCF-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.49
Rot. Bonds7

About 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine

6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine (PubChem CID 80862814) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
PubChem CID80862814
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-9-17-14-10-16-11-15(18-14)20-13-7-5-12(6-8-13)19-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQYAAXKOTUPCRCF-UHFFFAOYSA-N
XLogP3.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine (CID 80862814) is 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine is CCCNc1cncc(Oc2ccc(OCC)cc2)n1.
What is the InChIKey of 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine?
The InChIKey is QYAAXKOTUPCRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-9-17-14-10-16-11-15(18-14)20-13-7-5-12(6-8-13)19-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine?
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80862814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).