6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C16H19F3N6S — CID 118248909

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C16H19F3N6S/c1-15(21)4-7-25(8-5-15)11-9-23-14(13(20)24-11)26-10-3-2-6-22-12(10)16(17,18)19/h2-3,6,9H,4-5,7-8,21H2,1H3,(H2,20,24)
InChIKeyNOFINDIEOAUEAE-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.94
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 118248909) has the molecular formula C16H19F3N6S and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID118248909
Molecular FormulaC16H19F3N6S
Molecular Weight384.43 g/mol
Exact Mass384.13
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C16H19F3N6S/c1-15(21)4-7-25(8-5-15)11-9-23-14(13(20)24-11)26-10-3-2-6-22-12(10)16(17,18)19/h2-3,6,9H,4-5,7-8,21H2,1H3,(H2,20,24)
InChIKeyNOFINDIEOAUEAE-UHFFFAOYSA-N
XLogP2.94
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 118248909) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is NOFINDIEOAUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6S/c1-15(21)4-7-25(8-5-15)11-9-23-14(13(20)24-11)26-10-3-2-6-22-12(10)16(17,18)19/h2-3,6,9H,4-5,7-8,21H2,1H3,(H2,20,24).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 384.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118248909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).