4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine

C8H14N4OS — CID 112602545

IUPAC4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COC(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-5(2)13-4-6-10-7(9)12-8(11-6)14-3/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyVFKXFPJNHPEOTR-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.10
Rot. Bonds4

About 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine (PubChem CID 112602545) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
PubChem CID112602545
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COC(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-5(2)13-4-6-10-7(9)12-8(11-6)14-3/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyVFKXFPJNHPEOTR-UHFFFAOYSA-N
XLogP1.10
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine (CID 112602545) is 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(COC(C)C)n1.
What is the InChIKey of 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is VFKXFPJNHPEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)13-4-6-10-7(9)12-8(11-6)14-3/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112602545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).