1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C18H15BrN2O — CID 1049845

IUPAC1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)16-10-8-15(19)9-11-16/h3-11H,1-2H3
InChIKeyFMHNAIRTUPAJEY-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.28
Rot. Bonds2

About 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 1049845) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID1049845
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)16-10-8-15(19)9-11-16/h3-11H,1-2H3
InChIKeyFMHNAIRTUPAJEY-UHFFFAOYSA-N
XLogP4.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 1049845) is 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is FMHNAIRTUPAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)16-10-8-15(19)9-11-16/h3-11H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 355.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 1049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).