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

C6H9ClN4O2S — CID 104523076

IUPAC4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCC(c1nc(N)nc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C6H9ClN4O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyDYBGACCJQHPTGF-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.21
Rot. Bonds2

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

4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 104523076) has the molecular formula C6H9ClN4O2S and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID104523076
Molecular FormulaC6H9ClN4O2S
Molecular Weight236.68 g/mol
Exact Mass236.01
IUPAC Name4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCC(c1nc(N)nc(Cl)n1)S(C)(=O)=O
InChIInChI=1S/C6H9ClN4O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyDYBGACCJQHPTGF-UHFFFAOYSA-N
XLogP0.21
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 104523076) is 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is CC(c1nc(N)nc(Cl)n1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is DYBGACCJQHPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O2S/c1-3(14(2,12)13)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 236.68 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 104523076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).