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

C9H14N4OS — CID 83083906

IUPAC4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCCO2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-4-2-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyZAJRKSBAJDJTCA-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.42
Rot. Bonds2

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

4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83083906) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83083906
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCCO2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-4-2-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyZAJRKSBAJDJTCA-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 ≤ 500226.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-Dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083991
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-(5-Methyloxolan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084610
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-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085165
4-Methylsulfanyl-6-[2-(oxan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 83085263
4-Chloro-6-(oxan-2-YL)-1,3,5-triazin-2-amine
CID 83240443
4-(1-Methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104095298
4-(3-Methoxybutyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104160992
4-Methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 112602545

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine (CID 83083906) is 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCCCO2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZAJRKSBAJDJTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9-12-7(11-8(10)13-9)6-4-2-3-5-14-6/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 226.30 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-methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).