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

C14H8BrFN2O3 — CID 79431662

IUPAC2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)o2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H8BrFN2O3/c15-10-5-4-9(21-10)12-17-13(19)11(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20)
InChIKeyUHSJRBCWNDNZLD-UHFFFAOYSA-N
MW351.13 g/mol
LogP3.30
Rot. Bonds2

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

2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79431662) has the molecular formula C14H8BrFN2O3 and a molecular weight of 351.13 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79431662
Molecular FormulaC14H8BrFN2O3
Molecular Weight351.13 g/mol
Exact Mass349.97
IUPAC Name2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)o2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H8BrFN2O3/c15-10-5-4-9(21-10)12-17-13(19)11(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20)
InChIKeyUHSJRBCWNDNZLD-UHFFFAOYSA-N
XLogP3.30
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79431662) is 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Br)o2)nc(O)c1-c1cccc(F)c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UHSJRBCWNDNZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O3/c15-10-5-4-9(21-10)12-17-13(19)11(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20).
What are the key properties of 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 351.13 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).