5-bromo-3-(2-methoxyethyl)pyrimidin-4-one

C7H9BrN2O2 — CID 66308089

IUPAC5-bromo-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-12-3-2-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3
InChIKeyUNEJLZKKPUVABQ-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.65
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one

5-bromo-3-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 66308089) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)pyrimidin-4-one
PubChem CID66308089
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cncc(Br)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-12-3-2-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3
InChIKeyUNEJLZKKPUVABQ-UHFFFAOYSA-N
XLogP0.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(2-methoxyethyl)pyrimidin-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-3-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one (CID 66308089) is 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one is COCCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is UNEJLZKKPUVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-12-3-2-10-5-9-4-6(8)7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one?
5-bromo-3-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 233.06 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 66308089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).