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

C6H7F3N4S — CID 83084326

IUPAC4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4S/c1-14-5-12-3(2-6(7,8)9)11-4(10)13-5/h2H2,1H3,(H2,10,11,12,13)
InChIKeyLGDMGSLSNHBXAY-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.28
Rot. Bonds2

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

4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 83084326) has the molecular formula C6H7F3N4S and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID83084326
Molecular FormulaC6H7F3N4S
Molecular Weight224.21 g/mol
Exact Mass224.03
IUPAC Name4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4S/c1-14-5-12-3(2-6(7,8)9)11-4(10)13-5/h2H2,1H3,(H2,10,11,12,13)
InChIKeyLGDMGSLSNHBXAY-UHFFFAOYSA-N
XLogP1.28
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
4-(Methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244968
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
6-(2,2-Difluoropropyl)-1,3,5-triazine-2,4-diamine
CID 130889701
6-(1,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 175419378
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 83084326) is 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(CC(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is LGDMGSLSNHBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4S/c1-14-5-12-3(2-6(7,8)9)11-4(10)13-5/h2H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 224.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).