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

C11H18N4OS — CID 83083781

IUPAC4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2C(C)OC(C)C2C)n1
InChIInChI=1S/C11H18N4OS/c1-5-6(2)16-7(3)8(5)9-13-10(12)15-11(14-9)17-4/h5-8H,1-4H3,(H2,12,13,14,15)
InChIKeyIXCIBDYUAQWXGW-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.70
Rot. Bonds2

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

4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 83083781) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID83083781
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2C(C)OC(C)C2C)n1
InChIInChI=1S/C11H18N4OS/c1-5-6(2)16-7(3)8(5)9-13-10(12)15-11(14-9)17-4/h5-8H,1-4H3,(H2,12,13,14,15)
InChIKeyIXCIBDYUAQWXGW-UHFFFAOYSA-N
XLogP1.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine (CID 83083781) is 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2C(C)OC(C)C2C)n1.
What is the InChIKey of 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is IXCIBDYUAQWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-5-6(2)16-7(3)8(5)9-13-10(12)15-11(14-9)17-4/h5-8H,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(2,4,5-trimethyloxolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).