4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine

C8H13FN4O2S — CID 142136502

IUPAC4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C8H13FN4O2S/c1-6-10-7(9)12-8(11-6)13(2)4-5-16(3,14)15/h4-5H2,1-3H3
InChIKeyWAGVZVZESIFOLV-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.20
Rot. Bonds4

About 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine

4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 142136502) has the molecular formula C8H13FN4O2S and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID142136502
Molecular FormulaC8H13FN4O2S
Molecular Weight248.28 g/mol
Exact Mass248.07
IUPAC Name4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C8H13FN4O2S/c1-6-10-7(9)12-8(11-6)13(2)4-5-16(3,14)15/h4-5H2,1-3H3
InChIKeyWAGVZVZESIFOLV-UHFFFAOYSA-N
XLogP-0.20
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-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-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 142136502) is 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is Cc1nc(F)nc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is WAGVZVZESIFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2S/c1-6-10-7(9)12-8(11-6)13(2)4-5-16(3,14)15/h4-5H2,1-3H3.
What are the key properties of 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,6-dimethyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 142136502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).