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

C15H11FN2O — CID 67667387

IUPAC5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine
SMILESFC(c1cncnc1)c1ccccc1-c1ccco1
InChIInChI=1S/C15H11FN2O/c16-15(11-8-17-10-18-9-11)13-5-2-1-4-12(13)14-6-3-7-19-14/h1-10,15H
InChIKeyUHFDCVFKDRQUAT-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.80
Rot. Bonds3

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

5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine (PubChem CID 67667387) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine
PubChem CID67667387
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine
SMILESFC(c1cncnc1)c1ccccc1-c1ccco1
InChIInChI=1S/C15H11FN2O/c16-15(11-8-17-10-18-9-11)13-5-2-1-4-12(13)14-6-3-7-19-14/h1-10,15H
InChIKeyUHFDCVFKDRQUAT-UHFFFAOYSA-N
XLogP3.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine?
The IUPAC name of 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine (CID 67667387) is 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine?
The canonical SMILES for 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine is FC(c1cncnc1)c1ccccc1-c1ccco1.
What is the InChIKey of 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine?
The InChIKey is UHFDCVFKDRQUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-15(11-8-17-10-18-9-11)13-5-2-1-4-12(13)14-6-3-7-19-14/h1-10,15H.
What are the key properties of 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine?
5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine has a molecular weight of 254.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-[2-(furan-2-yl)phenyl]methyl]pyrimidine is sourced from PubChem (CID 67667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).