4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one

C10H6BrClN2O — CID 136947790

IUPAC4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1
InChIInChI=1S/C10H6BrClN2O/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyCPVSWIMDXODKRY-UHFFFAOYSA-N
MW285.53 g/mol
LogP2.85
Rot. Bonds1

About 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one

4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136947790) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one
PubChem CID136947790
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1
InChIInChI=1S/C10H6BrClN2O/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyCPVSWIMDXODKRY-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-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 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one (CID 136947790) is 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2cc(Cl)ccc2Br)nc[nH]1.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is CPVSWIMDXODKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-8-2-1-6(12)3-7(8)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15).
What are the key properties of 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one?
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 285.53 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136947790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).