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

C5H5F3N4S — CID 22244968

IUPAC4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4S/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12)
InChIKeySCRPYPQDRSFLLF-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.19
Rot. Bonds1

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

4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 22244968) has the molecular formula C5H5F3N4S and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID22244968
Molecular FormulaC5H5F3N4S
Molecular Weight210.18 g/mol
Exact Mass210.02
IUPAC Name4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4S/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12)
InChIKeySCRPYPQDRSFLLF-UHFFFAOYSA-N
XLogP1.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.19
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
N,N-dimethyl-4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 21605223
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
2-Methylsulfanyl-4-methylsulfinyl-6-(trifluoromethyl)-1,3,5-triazine
CID 169787604
2,4-Bis(methylsulfanyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 172228248
4-(Difluoromethyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 83083901
4-Methylsulfanyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 83083995
4-Methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 83084326
4-Methylsulfanyl-6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazin-2-amine
CID 83084477
4-Methylsulfanyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
CID 83084720
4-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103309483

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 22244968) is 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is SCRPYPQDRSFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4S/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 210.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22244968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).