2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

C16H9ClN2O — CID 118543898

IUPAC2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C16H9ClN2O/c17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16/h1-9H
InChIKeyLUUGUZVTJFKCAD-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.70
Rot. Bonds1

About 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118543898) has the molecular formula C16H9ClN2O and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118543898
Molecular FormulaC16H9ClN2O
Molecular Weight280.71 g/mol
Exact Mass280.04
IUPAC Name2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C16H9ClN2O/c17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16/h1-9H
InChIKeyLUUGUZVTJFKCAD-UHFFFAOYSA-N
XLogP4.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 177283221
2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 118544087
CID 170722413
CID 170722413
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
2-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628772
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
CID 164839359
CID 164839359
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-chloro-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-pyridin-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 160802720
4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]-2-chloro-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 159786687
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 118543898) is 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is Clc1nc(-c2ccccc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is LUUGUZVTJFKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O/c17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16/h1-9H.
What are the key properties of 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 280.71 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118543898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).