5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

C8H11BrN2O2 — CID 66308137

IUPAC5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-7(9)8(12)11(5-10-6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyMVEZOCAIODLBQX-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.96
Rot. Bonds3

About 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one

5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (PubChem CID 66308137) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
PubChem CID66308137
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one
SMILESCOCCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O2/c1-6-7(9)8(12)11(5-10-6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyMVEZOCAIODLBQX-UHFFFAOYSA-N
XLogP0.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-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)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one (CID 66308137) is 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one is COCCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is MVEZOCAIODLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-6-7(9)8(12)11(5-10-6)3-4-13-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one?
5-bromo-3-(2-methoxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 247.09 g/mol, XLogP of 0.96, 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)-6-methylpyrimidin-4-one is sourced from PubChem (CID 66308137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).