[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C11H9F3N4S — CID 79876668

IUPAC[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Sc1ncccn1
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)8-3-2-7(6-15)9(18-8)19-10-16-4-1-5-17-10/h1-5H,6,15H2
InChIKeyBYXQSPHBIIZCHT-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.50
Rot. Bonds3

About [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79876668) has the molecular formula C11H9F3N4S and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79876668
Molecular FormulaC11H9F3N4S
Molecular Weight286.28 g/mol
Exact Mass286.05
IUPAC Name[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Sc1ncccn1
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)8-3-2-7(6-15)9(18-8)19-10-16-4-1-5-17-10/h1-5H,6,15H2
InChIKeyBYXQSPHBIIZCHT-UHFFFAOYSA-N
XLogP2.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79876668) is [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1Sc1ncccn1.
What is the InChIKey of [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is BYXQSPHBIIZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4S/c12-11(13,14)8-3-2-7(6-15)9(18-8)19-10-16-4-1-5-17-10/h1-5H,6,15H2.
What are the key properties of [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 286.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79876668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).