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

C10H7BrF2N4S — CID 83085029

IUPAC4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C10H7BrF2N4S/c1-18-10-16-8(15-9(14)17-10)7-5(12)2-4(11)3-6(7)13/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyBCECWGXLOCMHHA-UHFFFAOYSA-N
MW333.16 g/mol
LogP2.88
Rot. Bonds2

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

4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83085029) has the molecular formula C10H7BrF2N4S and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83085029
Molecular FormulaC10H7BrF2N4S
Molecular Weight333.16 g/mol
Exact Mass331.95
IUPAC Name4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2c(F)cc(Br)cc2F)n1
InChIInChI=1S/C10H7BrF2N4S/c1-18-10-16-8(15-9(14)17-10)7-5(12)2-4(11)3-6(7)13/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyBCECWGXLOCMHHA-UHFFFAOYSA-N
XLogP2.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83085029) is 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2c(F)cc(Br)cc2F)n1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is BCECWGXLOCMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N4S/c1-18-10-16-8(15-9(14)17-10)7-5(12)2-4(11)3-6(7)13/h2-3H,1H3,(H2,14,15,16,17).
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 333.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83085029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).