2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine

C13H16N4OS — CID 63537558

IUPAC2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
SMILESCC(C)COc1nc(Sc2cnccn2)ccc1N
InChIInChI=1S/C13H16N4OS/c1-9(2)8-18-13-10(14)3-4-11(17-13)19-12-7-15-5-6-16-12/h3-7,9H,8,14H2,1-2H3
InChIKeyANZJSRXJISYJOI-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine

2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine (PubChem CID 63537558) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
PubChem CID63537558
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
SMILESCC(C)COc1nc(Sc2cnccn2)ccc1N
InChIInChI=1S/C13H16N4OS/c1-9(2)8-18-13-10(14)3-4-11(17-13)19-12-7-15-5-6-16-12/h3-7,9H,8,14H2,1-2H3
InChIKeyANZJSRXJISYJOI-UHFFFAOYSA-N
XLogP2.64
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine?
The IUPAC name of 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine (CID 63537558) is 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine?
The canonical SMILES for 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine is CC(C)COc1nc(Sc2cnccn2)ccc1N.
What is the InChIKey of 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine?
The InChIKey is ANZJSRXJISYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)8-18-13-10(14)3-4-11(17-13)19-12-7-15-5-6-16-12/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine?
2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine has a molecular weight of 276.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 63537558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).