2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C11H8N2O3 — CID 135412539

IUPAC2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CO)nc2c1oc1ccccc12
InChIInChI=1S/C11H8N2O3/c14-5-8-12-9-6-3-1-2-4-7(6)16-10(9)11(15)13-8/h1-4,14H,5H2,(H,12,13,15)
InChIKeyZLIJLMXIWHLVFS-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.16
Rot. Bonds1

About 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135412539) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135412539
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CO)nc2c1oc1ccccc12
InChIInChI=1S/C11H8N2O3/c14-5-8-12-9-6-3-1-2-4-7(6)16-10(9)11(15)13-8/h1-4,14H,5H2,(H,12,13,15)
InChIKeyZLIJLMXIWHLVFS-UHFFFAOYSA-N
XLogP1.16
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]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 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135412539) is 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(CO)nc2c1oc1ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is ZLIJLMXIWHLVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-5-8-12-9-6-3-1-2-4-7(6)16-10(9)11(15)13-8/h1-4,14H,5H2,(H,12,13,15).
What are the key properties of 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 216.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135412539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).