1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

C17H12N2O2 — CID 71602634

IUPAC1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCn1c(=O)nc(-c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C17H12N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKILWYKDNZZEJPB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.35
Rot. Bonds1

About 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71602634) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71602634
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCn1c(=O)nc(-c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C17H12N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKILWYKDNZZEJPB-UHFFFAOYSA-N
XLogP3.35
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-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 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71602634) is 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is Cn1c(=O)nc(-c2ccccc2)c2oc3ccccc3c21.
What is the InChIKey of 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is KILWYKDNZZEJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 276.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71602634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).