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

C10H12N4OS — CID 79991237

IUPAC4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C10H12N4OS/c1-3-15-10-13-8(12-9(11)14-10)7-6(2)4-5-16-7/h4-5H,3H2,1-2H3,(H2,11,12,13,14)
InChIKeyXPOUPJNMXOPEBU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.89
Rot. Bonds3

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

4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 79991237) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine
PubChem CID79991237
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C10H12N4OS/c1-3-15-10-13-8(12-9(11)14-10)7-6(2)4-5-16-7/h4-5H,3H2,1-2H3,(H2,11,12,13,14)
InChIKeyXPOUPJNMXOPEBU-UHFFFAOYSA-N
XLogP1.89
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-6-(3-methylthiophen-2-yl)-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-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine (CID 79991237) is 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(-c2sccc2C)n1.
What is the InChIKey of 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is XPOUPJNMXOPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-3-15-10-13-8(12-9(11)14-10)7-6(2)4-5-16-7/h4-5H,3H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 236.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79991237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).