4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H11FN4OS — CID 83085161

IUPAC4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(SC)n2)cc1F
InChIInChI=1S/C11H11FN4OS/c1-17-8-4-3-6(5-7(8)12)9-14-10(13)16-11(15-9)18-2/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyCBJACZILTHELKQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83085161) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83085161
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(N)nc(SC)n2)cc1F
InChIInChI=1S/C11H11FN4OS/c1-17-8-4-3-6(5-7(8)12)9-14-10(13)16-11(15-9)18-2/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyCBJACZILTHELKQ-UHFFFAOYSA-N
XLogP1.99
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-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-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83085161) is 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COc1ccc(-c2nc(N)nc(SC)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is CBJACZILTHELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-17-8-4-3-6(5-7(8)12)9-14-10(13)16-11(15-9)18-2/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83085161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).