5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

C11H8BrFN2O — CID 66310417

IUPAC5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1ccccc1F
InChIInChI=1S/C11H8BrFN2O/c12-9-5-14-7-15(11(9)16)6-8-3-1-2-4-10(8)13/h1-5,7H,6H2
InChIKeyLUEQSZOEXDXYQH-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.19
Rot. Bonds2

About 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 66310417) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID66310417
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1ccccc1F
InChIInChI=1S/C11H8BrFN2O/c12-9-5-14-7-15(11(9)16)6-8-3-1-2-4-10(8)13/h1-5,7H,6H2
InChIKeyLUEQSZOEXDXYQH-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (CID 66310417) is 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1ccccc1F.
What is the InChIKey of 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is LUEQSZOEXDXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-9-5-14-7-15(11(9)16)6-8-3-1-2-4-10(8)13/h1-5,7H,6H2.
What are the key properties of 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 283.10 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66310417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).