2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine

C8H10F3N3S — CID 63697860

IUPAC2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine
SMILESFC(F)(F)CNCCSc1ccncn1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)5-12-3-4-15-7-1-2-13-6-14-7/h1-2,6,12H,3-5H2
InChIKeyRVFVWDUZTNMYEX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.72
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine

2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine (PubChem CID 63697860) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine
PubChem CID63697860
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine
SMILESFC(F)(F)CNCCSc1ccncn1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)5-12-3-4-15-7-1-2-13-6-14-7/h1-2,6,12H,3-5H2
InChIKeyRVFVWDUZTNMYEX-UHFFFAOYSA-N
XLogP1.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine (CID 63697860) is 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine is FC(F)(F)CNCCSc1ccncn1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine?
The InChIKey is RVFVWDUZTNMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)5-12-3-4-15-7-1-2-13-6-14-7/h1-2,6,12H,3-5H2.
What are the key properties of 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine?
2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 63697860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).