5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one

C8H5BrN2O2 — CID 66314279

IUPAC5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccoc2)ncc1Br
InChIInChI=1S/C8H5BrN2O2/c9-6-3-10-7(11-8(6)12)5-1-2-13-4-5/h1-4H,(H,10,11,12)
InChIKeyTUEBNGSDAPHXKY-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

About 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one

5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one (PubChem CID 66314279) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one
PubChem CID66314279
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccoc2)ncc1Br
InChIInChI=1S/C8H5BrN2O2/c9-6-3-10-7(11-8(6)12)5-1-2-13-4-5/h1-4H,(H,10,11,12)
InChIKeyTUEBNGSDAPHXKY-UHFFFAOYSA-N
XLogP1.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-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-(furan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one (CID 66314279) is 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccoc2)ncc1Br.
What is the InChIKey of 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is TUEBNGSDAPHXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-6-3-10-7(11-8(6)12)5-1-2-13-4-5/h1-4H,(H,10,11,12).
What are the key properties of 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one?
5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66314279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).