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

C21H15FN2O — CID 54563065

IUPAC5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine
SMILESFC(c1cncnc1)c1ccccc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H15FN2O/c22-21(16-12-23-14-24-13-16)18-9-5-4-8-17(18)20-11-10-19(25-20)15-6-2-1-3-7-15/h1-14,21H
InChIKeyZRWUFOMXZAAHGB-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.46
Rot. Bonds4

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

5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine (PubChem CID 54563065) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine
PubChem CID54563065
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine
SMILESFC(c1cncnc1)c1ccccc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H15FN2O/c22-21(16-12-23-14-24-13-16)18-9-5-4-8-17(18)20-11-10-19(25-20)15-6-2-1-3-7-15/h1-14,21H
InChIKeyZRWUFOMXZAAHGB-UHFFFAOYSA-N
XLogP5.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine?
The IUPAC name of 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine (CID 54563065) is 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine?
The canonical SMILES for 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine is FC(c1cncnc1)c1ccccc1-c1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine?
The InChIKey is ZRWUFOMXZAAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-21(16-12-23-14-24-13-16)18-9-5-4-8-17(18)20-11-10-19(25-20)15-6-2-1-3-7-15/h1-14,21H.
What are the key properties of 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine?
5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine has a molecular weight of 330.36 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-[2-(5-phenylfuran-2-yl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 54563065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).