2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol

C10H9FN4OS — CID 136678060

IUPAC2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol
SMILESCSc1nc(N)nc(-c2c(O)cccc2F)n1
InChIInChI=1S/C10H9FN4OS/c1-17-10-14-8(13-9(12)15-10)7-5(11)3-2-4-6(7)16/h2-4,16H,1H3,(H2,12,13,14,15)
InChIKeyKUWKBHGCFFJDKY-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.69
Rot. Bonds2

About 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol

2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol (PubChem CID 136678060) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol
PubChem CID136678060
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol
SMILESCSc1nc(N)nc(-c2c(O)cccc2F)n1
InChIInChI=1S/C10H9FN4OS/c1-17-10-14-8(13-9(12)15-10)7-5(11)3-2-4-6(7)16/h2-4,16H,1H3,(H2,12,13,14,15)
InChIKeyKUWKBHGCFFJDKY-UHFFFAOYSA-N
XLogP1.69
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

4-(6-methyl-2-pyridinyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084815
4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085029
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
4-(5-methylfuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909370
4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909366
4-(2-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 102882416
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
2-(2,6-difluorophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499310
4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084220
4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine
CID 104670074
4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909353
6-(2-fluoro-3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 112681364

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol?
The IUPAC name of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol (CID 136678060) is 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol.
What is the SMILES notation for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol?
The canonical SMILES for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol is CSc1nc(N)nc(-c2c(O)cccc2F)n1.
What is the InChIKey of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol?
The InChIKey is KUWKBHGCFFJDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-17-10-14-8(13-9(12)15-10)7-5(11)3-2-4-6(7)16/h2-4,16H,1H3,(H2,12,13,14,15).
What are the key properties of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol?
2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol has a molecular weight of 252.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)-3-fluorophenol is sourced from PubChem (CID 136678060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).