4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine

C16H21FN4O2S — CID 20792608

IUPAC4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine
SMILESCCCS(=O)(=O)CCCN(c1ccccc1)c1nc(C)nc(F)n1
InChIInChI=1S/C16H21FN4O2S/c1-3-11-24(22,23)12-7-10-21(14-8-5-4-6-9-14)16-19-13(2)18-15(17)20-16/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySNWZQNGEHGFTBH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.67
Rot. Bonds8

About 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine

4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine (PubChem CID 20792608) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine
PubChem CID20792608
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine
SMILESCCCS(=O)(=O)CCCN(c1ccccc1)c1nc(C)nc(F)n1
InChIInChI=1S/C16H21FN4O2S/c1-3-11-24(22,23)12-7-10-21(14-8-5-4-6-9-14)16-19-13(2)18-15(17)20-16/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeySNWZQNGEHGFTBH-UHFFFAOYSA-N
XLogP2.67
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine (CID 20792608) is 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine is CCCS(=O)(=O)CCCN(c1ccccc1)c1nc(C)nc(F)n1.
What is the InChIKey of 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is SNWZQNGEHGFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-3-11-24(22,23)12-7-10-21(14-8-5-4-6-9-14)16-19-13(2)18-15(17)20-16/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine?
4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-N-phenyl-N-(3-propylsulfonylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 20792608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).