5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine

C22H17FN2O — CID 54216271

IUPAC5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESCc1ccc(C(F)(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17FN2O/c1-16-7-9-18(10-8-16)22(23,19-13-24-15-25-14-19)21-12-11-20(26-21)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyPZKIUFOYNHGDRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.31
Rot. Bonds4

About 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine

5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (PubChem CID 54216271) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
PubChem CID54216271
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine
SMILESCc1ccc(C(F)(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17FN2O/c1-16-7-9-18(10-8-16)22(23,19-13-24-15-25-14-19)21-12-11-20(26-21)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyPZKIUFOYNHGDRW-UHFFFAOYSA-N
XLogP5.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The IUPAC name of 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine (CID 54216271) is 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The canonical SMILES for 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is Cc1ccc(C(F)(c2cncnc2)c2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
The InChIKey is PZKIUFOYNHGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-16-7-9-18(10-8-16)22(23,19-13-24-15-25-14-19)21-12-11-20(26-21)17-5-3-2-4-6-17/h2-15H,1H3.
What are the key properties of 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine?
5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine has a molecular weight of 344.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-(4-methylphenyl)-(5-phenylfuran-2-yl)methyl]pyrimidine is sourced from PubChem (CID 54216271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).