4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine

C7H11ClN4O2S — CID 83240220

IUPAC4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(c1nc(N)nc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C7H11ClN4O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12)
InChIKeyOYQFRCCUJGXTPI-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.39
Rot. Bonds2

About 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83240220) has the molecular formula C7H11ClN4O2S and a molecular weight of 250.71 g/mol. Its IUPAC name is 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83240220
Molecular FormulaC7H11ClN4O2S
Molecular Weight250.71 g/mol
Exact Mass250.03
IUPAC Name4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(c1nc(N)nc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C7H11ClN4O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12)
InChIKeyOYQFRCCUJGXTPI-UHFFFAOYSA-N
XLogP0.39
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (CID 83240220) is 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is CC(C)(c1nc(N)nc(Cl)n1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is OYQFRCCUJGXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O2S/c1-7(2,15(3,13)14)4-10-5(8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 250.71 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).