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

C7H11FN4O2S — CID 142136534

IUPAC4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C7H11FN4O2S/c1-5-10-6(8)12-7(11-5)9-3-4-15(2,13)14/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyHDLMPISAQIBTBM-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.22
Rot. Bonds4

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

4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 142136534) has the molecular formula C7H11FN4O2S and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID142136534
Molecular FormulaC7H11FN4O2S
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC Name4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C7H11FN4O2S/c1-5-10-6(8)12-7(11-5)9-3-4-15(2,13)14/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyHDLMPISAQIBTBM-UHFFFAOYSA-N
XLogP-0.22
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.22
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-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 142136534) is 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is Cc1nc(F)nc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is HDLMPISAQIBTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2S/c1-5-10-6(8)12-7(11-5)9-3-4-15(2,13)14/h3-4H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-fluoro-6-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 234.26 g/mol, XLogP of -0.22, 4 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-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 142136534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).