6-(3-fluorophenyl)sulfanylpyrazin-2-amine

C10H8FN3S — CID 80646804

IUPAC6-(3-fluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3S/c11-7-2-1-3-8(4-7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14)
InChIKeyVXLVUVSHFJHXHO-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds2

About 6-(3-fluorophenyl)sulfanylpyrazin-2-amine

6-(3-fluorophenyl)sulfanylpyrazin-2-amine (PubChem CID 80646804) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanylpyrazin-2-amine
PubChem CID80646804
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name6-(3-fluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1cncc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3S/c11-7-2-1-3-8(4-7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14)
InChIKeyVXLVUVSHFJHXHO-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
CID 168288366
Phenylthio pyrazine
CID 528052
4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 10444969
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
N-(3-fluoropyrazin-2-yl)benzenesulfonamide
CID 67234341
5-(3,5-Difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine
CID 88948304
3-Amino-6-(3,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
CID 89475004
N-[2-[[6-(4-fluorophenyl)sulfanylpyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 117812082
6-(3,4-Difluorophenyl)sulfinylpyrazin-2-amine
CID 141176293
5-Bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
CID 171485942
Pyrazinamine,5-bis(phenylthio)-, monosodium salt
CID 21144896
Diphenyl(pyrazin-2-ylimino)-lambda4-sulfane
CID 15437572

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(3-fluorophenyl)sulfanylpyrazin-2-amine (CID 80646804) is 6-(3-fluorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(3-fluorophenyl)sulfanylpyrazin-2-amine is Nc1cncc(Sc2cccc(F)c2)n1.
What is the InChIKey of 6-(3-fluorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is VXLVUVSHFJHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-7-2-1-3-8(4-7)15-10-6-13-5-9(12)14-10/h1-6H,(H2,12,14).
What are the key properties of 6-(3-fluorophenyl)sulfanylpyrazin-2-amine?
6-(3-fluorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80646804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).