2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine

C8H14N4OS — CID 14316663

IUPAC2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine
SMILESCCc1nc(OCCN)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-3-6-10-7(13-5-4-9)12-8(11-6)14-2/h3-5,9H2,1-2H3
InChIKeySJXKGWNUOVNVMC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.49
Rot. Bonds5

About 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine

2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine (PubChem CID 14316663) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine
PubChem CID14316663
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine
SMILESCCc1nc(OCCN)nc(SC)n1
InChIInChI=1S/C8H14N4OS/c1-3-6-10-7(13-5-4-9)12-8(11-6)14-2/h3-5,9H2,1-2H3
InChIKeySJXKGWNUOVNVMC-UHFFFAOYSA-N
XLogP0.49
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine?
The IUPAC name of 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine (CID 14316663) is 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine?
The canonical SMILES for 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine is CCc1nc(OCCN)nc(SC)n1.
What is the InChIKey of 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine?
The InChIKey is SJXKGWNUOVNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-6-10-7(13-5-4-9)12-8(11-6)14-2/h3-5,9H2,1-2H3.
What are the key properties of 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine?
2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine has a molecular weight of 214.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]ethanamine is sourced from PubChem (CID 14316663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).