5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one

C11H9BrN2O — CID 117260805

IUPAC5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9BrN2O/c1-7-13-6-10(11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyBPCMYAHQYXTFGT-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.51
Rot. Bonds1

About 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one

5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 117260805) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID117260805
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9BrN2O/c1-7-13-6-10(11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyBPCMYAHQYXTFGT-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-2-methyl-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 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one (CID 117260805) is 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(-c2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BPCMYAHQYXTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7-13-6-10(11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one?
5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 265.11 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 117260805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).