5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine

C21H15FN2O — CID 57161989

IUPAC5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFC(c1ccccc1)(c1cncnc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H15FN2O/c22-21(17-9-5-2-6-10-17,18-13-23-15-24-14-18)20-12-11-19(25-20)16-7-3-1-4-8-16/h1-15H
InChIKeyZSHQWHRTCOEJNE-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.00
Rot. Bonds4

About 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine

5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine (PubChem CID 57161989) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine
PubChem CID57161989
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESFC(c1ccccc1)(c1cncnc1)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H15FN2O/c22-21(17-9-5-2-6-10-17,18-13-23-15-24-14-18)20-12-11-19(25-20)16-7-3-1-4-8-16/h1-15H
InChIKeyZSHQWHRTCOEJNE-UHFFFAOYSA-N
XLogP5.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine 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-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine (CID 57161989) is 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine is FC(c1ccccc1)(c1cncnc1)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine?
The InChIKey is ZSHQWHRTCOEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-21(17-9-5-2-6-10-17,18-13-23-15-24-14-18)20-12-11-19(25-20)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine?
5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine has a molecular weight of 330.36 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-phenyl-(5-phenylfuran-2-yl)methyl]pyrimidine is sourced from PubChem (CID 57161989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).