6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine

C11H15F3N2S — CID 107765534

IUPAC6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)Sc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H15F3N2S/c1-6(2)7(3)17-10-5-8(11(12,13)14)4-9(15)16-10/h4-7H,1-3H3,(H2,15,16)
InChIKeyXTKOBKMMWFZPNG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.82
Rot. Bonds3

About 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine

6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107765534) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107765534
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)Sc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H15F3N2S/c1-6(2)7(3)17-10-5-8(11(12,13)14)4-9(15)16-10/h4-7H,1-3H3,(H2,15,16)
InChIKeyXTKOBKMMWFZPNG-UHFFFAOYSA-N
XLogP3.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-amine
CID 107765529
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
[6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 107766272
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
CID 107765461
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720333
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032
4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 103704895

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine (CID 107765534) is 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)C(C)Sc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XTKOBKMMWFZPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-6(2)7(3)17-10-5-8(11(12,13)14)4-9(15)16-10/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 264.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107765534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).