4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

C11H10ClFN4S — CID 55125569

IUPAC4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C11H10ClFN4S/c1-17(2)10-14-9(12)15-11(16-10)18-8-6-4-3-5-7(8)13/h3-6H,1-2H3
InChIKeyRYBFNLWHBHAUIX-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.88
Rot. Bonds3

About 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55125569) has the molecular formula C11H10ClFN4S and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55125569
Molecular FormulaC11H10ClFN4S
Molecular Weight284.75 g/mol
Exact Mass284.03
IUPAC Name4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C11H10ClFN4S/c1-17(2)10-14-9(12)15-11(16-10)18-8-6-4-3-5-7(8)13/h3-6H,1-2H3
InChIKeyRYBFNLWHBHAUIX-UHFFFAOYSA-N
XLogP2.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55125569) is 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is RYBFNLWHBHAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4S/c1-17(2)10-14-9(12)15-11(16-10)18-8-6-4-3-5-7(8)13/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).