5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

C5H5FN2O2S — CID 15334657

IUPAC5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h1H3,(H2,7,8,9,10)
InChIKeyWHKPIQBXGSEIHT-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.34
Rot. Bonds1

About 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 15334657) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID15334657
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Name5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h1H3,(H2,7,8,9,10)
InChIKeyWHKPIQBXGSEIHT-UHFFFAOYSA-N
XLogP0.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one 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 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one (CID 15334657) is 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is WHKPIQBXGSEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h1H3,(H2,7,8,9,10).
What are the key properties of 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 176.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 15334657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).