5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C14H9FN2O3 — CID 79440347

IUPAC5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccco2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H9FN2O3/c15-9-4-1-3-8(7-9)11-13(18)16-12(17-14(11)19)10-5-2-6-20-10/h1-7H,(H2,16,17,18,19)
InChIKeyZFKOMAKRGAUGCK-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.54
Rot. Bonds2

About 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79440347) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79440347
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccco2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H9FN2O3/c15-9-4-1-3-8(7-9)11-13(18)16-12(17-14(11)19)10-5-2-6-20-10/h1-7H,(H2,16,17,18,19)
InChIKeyZFKOMAKRGAUGCK-UHFFFAOYSA-N
XLogP2.54
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 79440347) is 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccco2)nc(O)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZFKOMAKRGAUGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-9-4-1-3-8(7-9)11-13(18)16-12(17-14(11)19)10-5-2-6-20-10/h1-7H,(H2,16,17,18,19).
What are the key properties of 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 272.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79440347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).