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

C8H12N4O2S — CID 83083991

IUPAC4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C8H12N4O2S/c1-15-8-11-6(10-7(9)12-8)5-4-13-2-3-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyJOWLHPQLFLZYGZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.26
Rot. Bonds2

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

4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083991) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083991
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C8H12N4O2S/c1-15-8-11-6(10-7(9)12-8)5-4-13-2-3-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyJOWLHPQLFLZYGZ-UHFFFAOYSA-N
XLogP0.26
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-Tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
CID 65356286
4-(1,4-Dioxan-2-yl)-6-methyl-1,3,5-triazin-2-amine
CID 65356839
4-(1,4-Dioxan-2-yl)-6-ethyl-1,3,5-triazin-2-amine
CID 65356886
4-(1,4-Dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65356930
4-(1,4-Dioxan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 65356932
4-Methylsulfanyl-6-(oxan-2-yl)-1,3,5-triazin-2-amine
CID 83083906
4-(2-Ethoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085141
4-Chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
CID 83241340
4-(1-Methoxyethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104095298
4-Methylsulfanyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 107938607
4-(2-Methoxyethoxymethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 108048678
4-Methylsulfanyl-6-(propan-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 112602545

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083991) is 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JOWLHPQLFLZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-15-8-11-6(10-7(9)12-8)5-4-13-2-3-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 228.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).