2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine

C10H14F3N5S — CID 25220464

IUPAC2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)nc(SC(F)(F)F)n1
InChIInChI=1S/C10H14F3N5S/c11-10(12,13)19-9-17-7(14)16-8(18-9)15-6-4-2-1-3-5-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKeyWUUGYKXAOBNSKH-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.81
Rot. Bonds3

About 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 25220464) has the molecular formula C10H14F3N5S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine
PubChem CID25220464
Molecular FormulaC10H14F3N5S
Molecular Weight293.32 g/mol
Exact Mass293.09
IUPAC Name2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NC2CCCCC2)nc(SC(F)(F)F)n1
InChIInChI=1S/C10H14F3N5S/c11-10(12,13)19-9-17-7(14)16-8(18-9)15-6-4-2-1-3-5-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKeyWUUGYKXAOBNSKH-UHFFFAOYSA-N
XLogP2.81
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine (CID 25220464) is 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NC2CCCCC2)nc(SC(F)(F)F)n1.
What is the InChIKey of 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WUUGYKXAOBNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5S/c11-10(12,13)19-9-17-7(14)16-8(18-9)15-6-4-2-1-3-5-6/h6H,1-5H2,(H3,14,15,16,17,18).
What are the key properties of 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-(trifluoromethylsulfanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25220464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).