4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine

C9H14N4OS — CID 83084100

IUPAC4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCOCC2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-2-4-14-5-3-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyJFNXPURMNRWZDO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.07
Rot. Bonds2

About 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 83084100) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID83084100
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCOCC2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-2-4-14-5-3-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyJFNXPURMNRWZDO-UHFFFAOYSA-N
XLogP1.07
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 83084100) is 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCOCC2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is JFNXPURMNRWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-2-4-14-5-3-6/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 226.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).