[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine

C14H17N3O2 — CID 107668249

IUPAC[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
SMILESCCc1ccc(Oc2cncc(CN)n2)c(OC)c1
InChIInChI=1S/C14H17N3O2/c1-3-10-4-5-12(13(6-10)18-2)19-14-9-16-8-11(7-15)17-14/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyFPJZMVPPIXVUQU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds5

About [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine

[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine (PubChem CID 107668249) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
PubChem CID107668249
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
SMILESCCc1ccc(Oc2cncc(CN)n2)c(OC)c1
InChIInChI=1S/C14H17N3O2/c1-3-10-4-5-12(13(6-10)18-2)19-14-9-16-8-11(7-15)17-14/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyFPJZMVPPIXVUQU-UHFFFAOYSA-N
XLogP2.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine (CID 107668249) is [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine is CCc1ccc(Oc2cncc(CN)n2)c(OC)c1.
What is the InChIKey of [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is FPJZMVPPIXVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10-4-5-12(13(6-10)18-2)19-14-9-16-8-11(7-15)17-14/h4-6,8-9H,3,7,15H2,1-2H3.
What are the key properties of [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine?
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107668249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).