5-fluoro-6-phenyl-1H-pyrimidin-2-one

C10H7FN2O — CID 106514437

IUPAC5-fluoro-6-phenyl-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(-c2ccccc2)[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-6-12-10(14)13-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyITKHTUVQJGGPJC-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.58
Rot. Bonds1

About 5-fluoro-6-phenyl-1H-pyrimidin-2-one

5-fluoro-6-phenyl-1H-pyrimidin-2-one (PubChem CID 106514437) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 5-fluoro-6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-phenyl-1H-pyrimidin-2-one
PubChem CID106514437
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name5-fluoro-6-phenyl-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(-c2ccccc2)[nH]1
InChIInChI=1S/C10H7FN2O/c11-8-6-12-10(14)13-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyITKHTUVQJGGPJC-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-6-phenyl-1H-pyrimidin-2-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-6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-phenyl-1H-pyrimidin-2-one (CID 106514437) is 5-fluoro-6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-phenyl-1H-pyrimidin-2-one is O=c1ncc(F)c(-c2ccccc2)[nH]1.
What is the InChIKey of 5-fluoro-6-phenyl-1H-pyrimidin-2-one?
The InChIKey is ITKHTUVQJGGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-6-12-10(14)13-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 5-fluoro-6-phenyl-1H-pyrimidin-2-one?
5-fluoro-6-phenyl-1H-pyrimidin-2-one has a molecular weight of 190.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106514437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).