5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one

C11H7BrClFN2O — CID 66308093

IUPAC5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7BrClFN2O/c12-8-4-15-6-16(11(8)17)5-7-9(13)2-1-3-10(7)14/h1-4,6H,5H2
InChIKeyVCJMCPIDMBCWBV-UHFFFAOYSA-N
MW317.55 g/mol
LogP2.85
Rot. Bonds2

About 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one

5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 66308093) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID66308093
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H7BrClFN2O/c12-8-4-15-6-16(11(8)17)5-7-9(13)2-1-3-10(7)14/h1-4,6H,5H2
InChIKeyVCJMCPIDMBCWBV-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-[(2-chloro-6-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-bromo-3-[(4-chloro-2,6-difluorophenyl)methyl]pyrimidin-4-one
CID 68840357
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
5-bromo-3-[(5-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102974911
5-bromo-3-[(3-chloro-4-pyridinyl)methyl]pyrimidin-4-one
CID 66310203
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
3-(4-bromophenyl)-6-[(2-chloro-6-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 40865092
5-[(2-chloro-6-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7518876
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzonitrile
CID 66309151
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
5-bromo-3-[2-(3-chloroanilino)ethyl]pyrimidin-4-one
CID 66310647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one (CID 66308093) is 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1c(F)cccc1Cl.
What is the InChIKey of 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is VCJMCPIDMBCWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-8-4-15-6-16(11(8)17)5-7-9(13)2-1-3-10(7)14/h1-4,6H,5H2.
What are the key properties of 5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 317.55 g/mol, XLogP of 2.85, 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-chloro-6-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66308093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).