5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one

C12H9BrCl2N2O — CID 107309342

IUPAC5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2O/c1-7-16-5-9(13)12(18)17(7)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3
InChIKeyQUTQDWSYQSGKAP-UHFFFAOYSA-N
MW348.03 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one

5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one (PubChem CID 107309342) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
PubChem CID107309342
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2O/c1-7-16-5-9(13)12(18)17(7)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3
InChIKeyQUTQDWSYQSGKAP-UHFFFAOYSA-N
XLogP3.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-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

6-Bromo-3-(2,3-dichlorophenyl)-[1,2,4]oxadiazolo[4,5-a]pyrimidin-5-one
CID 171353649
3-[(2,3-Dichlorophenyl)methyl]-2-ethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 53719067
5-Bromo-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 66308936
1-[(3-Chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694
5-Bromo-3-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-one
CID 66308093
5-Bromo-3-[(2-chloro-6-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 66308598
5-Bromo-3-[(2-chloro-4-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 66309459
3-[(2-Chloro-6-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341386
3-[(2-Chloro-4-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342270
5-Bromo-3-[(2-chloro-5-fluorophenyl)methyl]pyrimidin-4-one
CID 102604929
6-Chloro-3-[(2-chloro-5-fluorophenyl)methyl]-2-methylpyrimidin-4-one
CID 102619563
6-Chloro-3-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpyrimidin-4-one
CID 102619568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one (CID 107309342) is 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one is Cc1ncc(Br)c(=O)n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is QUTQDWSYQSGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-7-16-5-9(13)12(18)17(7)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one?
5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 348.03 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 107309342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).