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

C13H15FN4O2S — CID 20792606

IUPAC4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESCCCS(=O)(=O)c1cccc(Nc2nc(C)nc(F)n2)c1
InChIInChI=1S/C13H15FN4O2S/c1-3-7-21(19,20)11-6-4-5-10(8-11)17-13-16-9(2)15-12(14)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyBXUXBNJOHXIBHT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.25
Rot. Bonds5

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

4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine (PubChem CID 20792606) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine
PubChem CID20792606
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESCCCS(=O)(=O)c1cccc(Nc2nc(C)nc(F)n2)c1
InChIInChI=1S/C13H15FN4O2S/c1-3-7-21(19,20)11-6-4-5-10(8-11)17-13-16-9(2)15-12(14)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyBXUXBNJOHXIBHT-UHFFFAOYSA-N
XLogP2.25
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine (CID 20792606) is 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine is CCCS(=O)(=O)c1cccc(Nc2nc(C)nc(F)n2)c1.
What is the InChIKey of 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BXUXBNJOHXIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-3-7-21(19,20)11-6-4-5-10(8-11)17-13-16-9(2)15-12(14)18-13/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine?
4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 310.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-N-(3-propylsulfonylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 20792606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).