3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine

C7H10FN3OS — CID 164648129

IUPAC3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine
SMILESCS(=O)CCNc1nccnc1F
InChIInChI=1S/C7H10FN3OS/c1-13(12)5-4-11-7-6(8)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyATJFKROUCAXFDV-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.41
Rot. Bonds4

About 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine

3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine (PubChem CID 164648129) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine
PubChem CID164648129
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC Name3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine
SMILESCS(=O)CCNc1nccnc1F
InChIInChI=1S/C7H10FN3OS/c1-13(12)5-4-11-7-6(8)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyATJFKROUCAXFDV-UHFFFAOYSA-N
XLogP0.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine (CID 164648129) is 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine is CS(=O)CCNc1nccnc1F.
What is the InChIKey of 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine?
The InChIKey is ATJFKROUCAXFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3OS/c1-13(12)5-4-11-7-6(8)9-2-3-10-7/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine?
3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine has a molecular weight of 203.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylsulfinylethyl)pyrazin-2-amine is sourced from PubChem (CID 164648129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).