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

C10H7FN2O2 — CID 12783678

IUPAC5-fluoro-2-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Oc2ccccc2)ncc1F
InChIInChI=1S/C10H7FN2O2/c11-8-6-12-10(13-9(8)14)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyMEKOOGPQBMLMDC-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.70
Rot. Bonds2

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

5-fluoro-2-phenoxy-1H-pyrimidin-6-one (PubChem CID 12783678) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-2-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-phenoxy-1H-pyrimidin-6-one
PubChem CID12783678
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-2-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Oc2ccccc2)ncc1F
InChIInChI=1S/C10H7FN2O2/c11-8-6-12-10(13-9(8)14)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyMEKOOGPQBMLMDC-UHFFFAOYSA-N
XLogP1.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-phenoxy-1H-pyrimidin-6-one (CID 12783678) is 5-fluoro-2-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-phenoxy-1H-pyrimidin-6-one is O=c1[nH]c(Oc2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-2-phenoxy-1H-pyrimidin-6-one?
The InChIKey is MEKOOGPQBMLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-6-12-10(13-9(8)14)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 5-fluoro-2-phenoxy-1H-pyrimidin-6-one?
5-fluoro-2-phenoxy-1H-pyrimidin-6-one has a molecular weight of 206.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12783678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).