6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine

C17H19F4N5S — CID 118248943

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C17H19F4N5S/c1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21/h2-3,8-9H,4-7,23H2,1H3,(H2,22,25)
InChIKeyUUTHQJBDDIJPCD-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.69
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (PubChem CID 118248943) has the molecular formula C17H19F4N5S and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
PubChem CID118248943
Molecular FormulaC17H19F4N5S
Molecular Weight401.43 g/mol
Exact Mass401.13
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C17H19F4N5S/c1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21/h2-3,8-9H,4-7,23H2,1H3,(H2,22,25)
InChIKeyUUTHQJBDDIJPCD-UHFFFAOYSA-N
XLogP3.69
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (CID 118248943) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The InChIKey is UUTHQJBDDIJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N5S/c1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21/h2-3,8-9H,4-7,23H2,1H3,(H2,22,25).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine has a molecular weight of 401.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is sourced from PubChem (CID 118248943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).