5-bromo-2,3-dimethylpyrimidin-4-one

C6H7BrN2O — CID 66310726

IUPAC5-bromo-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1C
InChIInChI=1S/C6H7BrN2O/c1-4-8-3-5(7)6(10)9(4)2/h3H,1-2H3
InChIKeyIHQLFEKXXQJDPL-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.85
Rot. Bonds

About 5-bromo-2,3-dimethylpyrimidin-4-one

5-bromo-2,3-dimethylpyrimidin-4-one (PubChem CID 66310726) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2,3-dimethylpyrimidin-4-one
PubChem CID66310726
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1C
InChIInChI=1S/C6H7BrN2O/c1-4-8-3-5(7)6(10)9(4)2/h3H,1-2H3
InChIKeyIHQLFEKXXQJDPL-UHFFFAOYSA-N
XLogP0.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2,3-dimethylpyrimidin-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 5-bromo-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-bromo-2,3-dimethylpyrimidin-4-one (CID 66310726) is 5-bromo-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-bromo-2,3-dimethylpyrimidin-4-one is Cc1ncc(Br)c(=O)n1C.
What is the InChIKey of 5-bromo-2,3-dimethylpyrimidin-4-one?
The InChIKey is IHQLFEKXXQJDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-4-8-3-5(7)6(10)9(4)2/h3H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethylpyrimidin-4-one?
5-bromo-2,3-dimethylpyrimidin-4-one has a molecular weight of 203.04 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 66310726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).