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

C12H7BrN2O2 — CID 66316989

IUPAC2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)ncc1Br
InChIInChI=1S/C12H7BrN2O2/c13-8-6-14-11(15-12(8)16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H,14,15,16)
InChIKeyRCVGWMHYUXRJIP-UHFFFAOYSA-N
MW291.10 g/mol
LogP2.95
Rot. Bonds1

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

2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one (PubChem CID 66316989) has the molecular formula C12H7BrN2O2 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one
PubChem CID66316989
Molecular FormulaC12H7BrN2O2
Molecular Weight291.10 g/mol
Exact Mass289.97
IUPAC Name2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)ncc1Br
InChIInChI=1S/C12H7BrN2O2/c13-8-6-14-11(15-12(8)16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H,14,15,16)
InChIKeyRCVGWMHYUXRJIP-UHFFFAOYSA-N
XLogP2.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-yl)-5-bromo-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 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one (CID 66316989) is 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc3ccccc3o2)ncc1Br.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is RCVGWMHYUXRJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2/c13-8-6-14-11(15-12(8)16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H,14,15,16).
What are the key properties of 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one?
2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 291.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 66316989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).