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

C9H14N4OS — CID 83084610

IUPAC4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCC(C)O2)n1
InChIInChI=1S/C9H14N4OS/c1-5-3-4-6(14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyJGXWYJSPPUTLEK-UHFFFAOYSA-N
MW226.31 g/mol
LogP1.42
Rot. Bonds2

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

4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084610) has the molecular formula C9H14N4OS and a molecular weight of 226.31 g/mol. Its IUPAC name is 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084610
Molecular FormulaC9H14N4OS
Molecular Weight226.31 g/mol
Exact Mass226.09
IUPAC Name4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCC(C)O2)n1
InChIInChI=1S/C9H14N4OS/c1-5-3-4-6(14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyJGXWYJSPPUTLEK-UHFFFAOYSA-N
XLogP1.42
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(tetrahydro-2-furanyl)-
CID 135627
4-Methyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330153
4-Ethyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330205
4-(Oxolan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65330206
4-(Oxolan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 65330207
4-Tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 65330262
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-(2-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084108
4-Methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084334
4-(3-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084354
4-Methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 83084829
4-Methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085165

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084610) is 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCC(C)O2)n1.
What is the InChIKey of 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JGXWYJSPPUTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-5-3-4-6(14-5)7-11-8(10)13-9(12-7)15-2/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 226.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).