4-(2-fluorophenoxy)-1H-pyrimidin-6-one

C10H7FN2O2 — CID 103241073

IUPAC4-(2-fluorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2F)nc[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-4-8(7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14)
InChIKeyVTQZTFFHKGDKAA-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-fluorophenoxy)-1H-pyrimidin-6-one

4-(2-fluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 103241073) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1H-pyrimidin-6-one
PubChem CID103241073
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name4-(2-fluorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccccc2F)nc[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-4-8(7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14)
InChIKeyVTQZTFFHKGDKAA-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 4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluorophenoxy)-1H-pyrimidin-6-one (CID 103241073) is 4-(2-fluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluorophenoxy)-1H-pyrimidin-6-one is O=c1cc(Oc2ccccc2F)nc[nH]1.
What is the InChIKey of 4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is VTQZTFFHKGDKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-4-8(7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14).
What are the key properties of 4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
4-(2-fluorophenoxy)-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 4-(2-fluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).