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

C8H14N4O2S — CID 116633637

IUPAC4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-4-6-10-7(12-8(9)11-6)5(2)15(3,13)14/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyWQRSEFJMSGZAQR-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.12
Rot. Bonds3

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

4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 116633637) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID116633637
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-4-6-10-7(12-8(9)11-6)5(2)15(3,13)14/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyWQRSEFJMSGZAQR-UHFFFAOYSA-N
XLogP0.12
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 116633637) is 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is WQRSEFJMSGZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-4-6-10-7(12-8(9)11-6)5(2)15(3,13)14/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 116633637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).