6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine

C16H19ClFN5S — CID 118248949

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19ClFN5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(18)8-11(12)17/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
InChIKeyNYOZXFJPPLFCTJ-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.32
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine (PubChem CID 118248949) has the molecular formula C16H19ClFN5S and a molecular weight of 367.88 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine
PubChem CID118248949
Molecular FormulaC16H19ClFN5S
Molecular Weight367.88 g/mol
Exact Mass367.10
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19ClFN5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(18)8-11(12)17/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22)
InChIKeyNYOZXFJPPLFCTJ-UHFFFAOYSA-N
XLogP3.32
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.32
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-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine (CID 118248949) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine is CC1(N)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is NYOZXFJPPLFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5S/c1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(18)8-11(12)17/h2-3,8-9H,4-7,20H2,1H3,(H2,19,22).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 367.88 g/mol, XLogP of 3.32, 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-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 118248949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).