4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

C9H14N4OS — CID 83084334

IUPAC4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)5-6-3-2-4-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyJSQXHDCYVWPSJF-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.90
Rot. Bonds3

About 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 83084334) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID83084334
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)5-6-3-2-4-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyJSQXHDCYVWPSJF-UHFFFAOYSA-N
XLogP0.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(Oxolan-2-ylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63866982
4-Tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868348
4-Ethyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868461
4-Methyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63868708
4-(Oxolan-2-ylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63868726
4-Methylsulfanyl-6-(oxolan-3-yl)-1,3,5-triazin-2-amine
CID 83083677
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (CID 83084334) is 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(CC2CCCO2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is JSQXHDCYVWPSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)5-6-3-2-4-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 226.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).