5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

C11H7Cl2FN2O — CID 114583259

IUPAC5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-9-10(13)15-6-16(11(9)17)5-7-3-1-2-4-8(7)14/h1-4,6H,5H2
InChIKeyKJESIQMTESHMRH-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.74
Rot. Bonds2

About 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 114583259) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID114583259
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1Cc1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-9-10(13)15-6-16(11(9)17)5-7-3-1-2-4-8(7)14/h1-4,6H,5H2
InChIKeyKJESIQMTESHMRH-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-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

Related Compounds

5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
4-chloro-3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridine
CID 14199155
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39892488
3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
CID 3497178
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
3-[(5-bromo-2-pyridinyl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583198

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (CID 114583259) is 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1Cc1ccccc1F.
What is the InChIKey of 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is KJESIQMTESHMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-9-10(13)15-6-16(11(9)17)5-7-3-1-2-4-8(7)14/h1-4,6H,5H2.
What are the key properties of 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 273.09 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).