2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

C14H16F3N5S — CID 17406340

IUPAC2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5S/c1-22(2)13-20-11(19-12(18)21-13)8-23-7-9-5-3-4-6-10(9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyLGAMMGXRWSQVGI-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.97
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17406340) has the molecular formula C14H16F3N5S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID17406340
Molecular FormulaC14H16F3N5S
Molecular Weight343.38 g/mol
Exact Mass343.11
IUPAC Name2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5S/c1-22(2)13-20-11(19-12(18)21-13)8-23-7-9-5-3-4-6-10(9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyLGAMMGXRWSQVGI-UHFFFAOYSA-N
XLogP2.97
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 17406340) is 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LGAMMGXRWSQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5S/c1-22(2)13-20-11(19-12(18)21-13)8-23-7-9-5-3-4-6-10(9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17406340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).