5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H6F2N2O2 — CID 58134228

IUPAC5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc(O)c1F
InChIInChI=1S/C10H6F2N2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16)
InChIKeyLLIIWIBXCZSNPD-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.42
Rot. Bonds1

About 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 58134228) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID58134228
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc(O)c1F
InChIInChI=1S/C10H6F2N2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16)
InChIKeyLLIIWIBXCZSNPD-UHFFFAOYSA-N
XLogP1.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 58134228) is 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(F)cc2)nc(O)c1F.
What is the InChIKey of 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LLIIWIBXCZSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-3-1-5(2-4-6)8-13-9(15)7(12)10(16)14-8/h1-4H,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 224.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 58134228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).