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

C10H7FN2O2 — CID 103241147

IUPAC4-(4-fluorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(F)cc2)nc[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14)
InChIKeyHTHPURZKQMNFCJ-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.70
Rot. Bonds2

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

4-(4-fluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 103241147) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1H-pyrimidin-6-one
PubChem CID103241147
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name4-(4-fluorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(F)cc2)nc[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14)
InChIKeyHTHPURZKQMNFCJ-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-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluorophenoxy)-1H-pyrimidin-6-one (CID 103241147) is 4-(4-fluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluorophenoxy)-1H-pyrimidin-6-one is O=c1cc(Oc2ccc(F)cc2)nc[nH]1.
What is the InChIKey of 4-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is HTHPURZKQMNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)15-10-5-9(14)12-6-13-10/h1-6H,(H,12,13,14).
What are the key properties of 4-(4-fluorophenoxy)-1H-pyrimidin-6-one?
4-(4-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-(4-fluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).