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

C7H9F3N4OS — CID 103206957

IUPAC4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4OS/c1-16-6-13-4(12-5(11)14-6)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyJJUXMMYNWKFFKE-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.25
Rot. Bonds4

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

4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103206957) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103206957
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4OS/c1-16-6-13-4(12-5(11)14-6)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyJJUXMMYNWKFFKE-UHFFFAOYSA-N
XLogP1.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103206957) is 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is JJUXMMYNWKFFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-16-6-13-4(12-5(11)14-6)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 254.24 g/mol, XLogP of 1.25, 4 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-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103206957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).