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

C10H16N4OS — CID 83085165

IUPAC4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC2CCCO2)n1
InChIInChI=1S/C10H16N4OS/c1-16-10-13-8(12-9(11)14-10)5-4-7-3-2-6-15-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyHAKLZFKMIICXAN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.29
Rot. Bonds4

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

4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 83085165) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID83085165
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CCC2CCCO2)n1
InChIInChI=1S/C10H16N4OS/c1-16-10-13-8(12-9(11)14-10)5-4-7-3-2-6-15-7/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyHAKLZFKMIICXAN-UHFFFAOYSA-N
XLogP1.29
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868461
4-(Oxolan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63868726
4-Methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 83083781
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-Methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084334
4-(3-Ethoxypropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084602
4-(5-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084610
4-(2-Methyloxolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084715
4-Methylsulfanyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83084807
4-Methylsulfanyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
CID 83084829
4-Methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085263
4-Chloro-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83240679

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 83085165) is 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is CSc1nc(N)nc(CCC2CCCO2)n1.
What is the InChIKey of 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is HAKLZFKMIICXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-16-10-13-8(12-9(11)14-10)5-4-7-3-2-6-15-7/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 240.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83085165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).