4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C8H11F3N4OS — CID 103206958

IUPAC4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4OS/c1-17-7-14-5(13-6(12)15-7)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyOAORJYBMOUGGIB-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.30
Rot. Bonds5

About 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103206958) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103206958
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4OS/c1-17-7-14-5(13-6(12)15-7)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyOAORJYBMOUGGIB-UHFFFAOYSA-N
XLogP1.30
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103206958) is 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is CSc1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is OAORJYBMOUGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-17-7-14-5(13-6(12)15-7)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 268.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103206958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).