4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C5H7FN4S — CID 130738995

IUPAC4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CF)n1
InChIInChI=1S/C5H7FN4S/c1-11-5-9-3(2-6)8-4(7)10-5/h2H2,1H3,(H2,7,8,9,10)
InChIKeyPDXAKTKDLSOTIJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.65
Rot. Bonds2

About 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 130738995) has the molecular formula C5H7FN4S and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID130738995
Molecular FormulaC5H7FN4S
Molecular Weight174.20 g/mol
Exact Mass174.04
IUPAC Name4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CF)n1
InChIInChI=1S/C5H7FN4S/c1-11-5-9-3(2-6)8-4(7)10-5/h2H2,1H3,(H2,7,8,9,10)
InChIKeyPDXAKTKDLSOTIJ-UHFFFAOYSA-N
XLogP0.65
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 130738995) is 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(CF)n1.
What is the InChIKey of 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is PDXAKTKDLSOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4S/c1-11-5-9-3(2-6)8-4(7)10-5/h2H2,1H3,(H2,7,8,9,10).
What are the key properties of 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 174.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 130738995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).