4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine

C16H22N4O2S — CID 166192433

IUPAC4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(OCCSc2nc(N)nc(CC)n2)cc1
InChIInChI=1S/C16H22N4O2S/c1-3-9-21-12-5-7-13(8-6-12)22-10-11-23-16-19-14(4-2)18-15(17)20-16/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyUCCVCJDNLAJECE-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.98
Rot. Bonds9

About 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine

4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine (PubChem CID 166192433) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine
PubChem CID166192433
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCCCOc1ccc(OCCSc2nc(N)nc(CC)n2)cc1
InChIInChI=1S/C16H22N4O2S/c1-3-9-21-12-5-7-13(8-6-12)22-10-11-23-16-19-14(4-2)18-15(17)20-16/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyUCCVCJDNLAJECE-UHFFFAOYSA-N
XLogP2.98
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine (CID 166192433) is 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine is CCCOc1ccc(OCCSc2nc(N)nc(CC)n2)cc1.
What is the InChIKey of 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is UCCVCJDNLAJECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-9-21-12-5-7-13(8-6-12)22-10-11-23-16-19-14(4-2)18-15(17)20-16/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine?
4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 334.45 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 166192433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).