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

C10H7FN2O — CID 142660922

IUPAC4-fluoro-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(F)c1-c1ccccc1
InChIInChI=1S/C10H7FN2O/c11-9-8(10(14)13-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyUNIMHCAFSBSJPC-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.58
Rot. Bonds1

About 4-fluoro-5-phenyl-1H-pyrimidin-6-one

4-fluoro-5-phenyl-1H-pyrimidin-6-one (PubChem CID 142660922) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 4-fluoro-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-fluoro-5-phenyl-1H-pyrimidin-6-one
PubChem CID142660922
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name4-fluoro-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(F)c1-c1ccccc1
InChIInChI=1S/C10H7FN2O/c11-9-8(10(14)13-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyUNIMHCAFSBSJPC-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-fluoro-5-phenyl-1H-pyrimidin-6-one (CID 142660922) is 4-fluoro-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-fluoro-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-fluoro-5-phenyl-1H-pyrimidin-6-one is O=c1[nH]cnc(F)c1-c1ccccc1.
What is the InChIKey of 4-fluoro-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is UNIMHCAFSBSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-9-8(10(14)13-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 4-fluoro-5-phenyl-1H-pyrimidin-6-one?
4-fluoro-5-phenyl-1H-pyrimidin-6-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 4-fluoro-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142660922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).