4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine

C12H14N4O2S — CID 80879656

IUPAC4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(SC)cc2)n1
InChIInChI=1S/C12H14N4O2S/c1-3-17-11-14-10(13)15-12(16-11)18-8-4-6-9(19-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyICUQXZNXZNBOOQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.37
Rot. Bonds5

About 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine

4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80879656) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80879656
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(SC)cc2)n1
InChIInChI=1S/C12H14N4O2S/c1-3-17-11-14-10(13)15-12(16-11)18-8-4-6-9(19-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyICUQXZNXZNBOOQ-UHFFFAOYSA-N
XLogP2.37
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine (CID 80879656) is 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(SC)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is ICUQXZNXZNBOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-17-11-14-10(13)15-12(16-11)18-8-4-6-9(19-2)7-5-8/h4-7H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80879656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).