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

C17H20F3N5S — CID 118248912

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C17H20F3N5S/c1-16(22)6-8-25(9-7-16)13-10-23-15(14(21)24-13)26-12-5-3-2-4-11(12)17(18,19)20/h2-5,10H,6-9,22H2,1H3,(H2,21,24)
InChIKeyQYXCFZQRLROSRX-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.55
Rot. Bonds3

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

6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (PubChem CID 118248912) has the molecular formula C17H20F3N5S and a molecular weight of 383.44 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
PubChem CID118248912
Molecular FormulaC17H20F3N5S
Molecular Weight383.44 g/mol
Exact Mass383.14
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccccc3C(F)(F)F)c(N)n2)CC1
InChIInChI=1S/C17H20F3N5S/c1-16(22)6-8-25(9-7-16)13-10-23-15(14(21)24-13)26-12-5-3-2-4-11(12)17(18,19)20/h2-5,10H,6-9,22H2,1H3,(H2,21,24)
InChIKeyQYXCFZQRLROSRX-UHFFFAOYSA-N
XLogP3.55
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10301278, Example 2
CID 118248920
6-(4-Amino-4-methylpiperidin-1-yl)-3-naphthalen-1-ylsulfanylpyrazin-2-amine
CID 168269047
6-(4-Amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)sulfanylpyrazin-2-amine
CID 168273095
6-(4-Amino-4-methylpiperidin-1-yl)-3-naphthalen-2-ylsulfanylpyrazin-2-amine
CID 168274726
6-(4-Amino-4-methylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
CID 168282401
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-bromophenyl)sulfanylpyrazin-2-amine
CID 168286757
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
CID 168288366
US10301278, Example 21
CID 118248940
US10301278, Example 26
CID 118248943
US10301278, Example 23
CID 118248949
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-methylphenyl)sulfanylpyrazin-2-amine
CID 168285324
6-(4-Amino-4-methylpiperidin-1-yl)-3-(4-chlorophenyl)sulfanylpyrazin-2-amine
CID 168294244

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (CID 118248912) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3ccccc3C(F)(F)F)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The InChIKey is QYXCFZQRLROSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5S/c1-16(22)6-8-25(9-7-16)13-10-23-15(14(21)24-13)26-12-5-3-2-4-11(12)17(18,19)20/h2-5,10H,6-9,22H2,1H3,(H2,21,24).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine has a molecular weight of 383.44 g/mol, XLogP of 3.55, 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-[2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is sourced from PubChem (CID 118248912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).