5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione

C12H11BrN2O2 — CID 13230131

IUPAC5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione
SMILESCn1c(-c2ccccc2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-10(8-6-4-3-5-7-8)9(13)11(16)15(2)12(14)17/h3-7H,1-2H3
InChIKeyYZIYDIAFSLMSGW-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.51
Rot. Bonds1

About 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione

5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione (PubChem CID 13230131) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione
PubChem CID13230131
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione
SMILESCn1c(-c2ccccc2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-10(8-6-4-3-5-7-8)9(13)11(16)15(2)12(14)17/h3-7H,1-2H3
InChIKeyYZIYDIAFSLMSGW-UHFFFAOYSA-N
XLogP1.51
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione 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-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione (CID 13230131) is 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione is Cn1c(-c2ccccc2)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione?
The InChIKey is YZIYDIAFSLMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-14-10(8-6-4-3-5-7-8)9(13)11(16)15(2)12(14)17/h3-7H,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione?
5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-6-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 13230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).