5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine

C15H11FN2O — CID 54510200

IUPAC5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine
SMILESFC(c1ccccc1)(c1cncnc1)c1ccco1
InChIInChI=1S/C15H11FN2O/c16-15(14-7-4-8-19-14,12-5-2-1-3-6-12)13-9-17-11-18-10-13/h1-11H
InChIKeyYIOHZBXJOUODGK-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.33
Rot. Bonds3

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

5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine (PubChem CID 54510200) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine.

Molecular Properties

Compound Name5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine
PubChem CID54510200
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine
SMILESFC(c1ccccc1)(c1cncnc1)c1ccco1
InChIInChI=1S/C15H11FN2O/c16-15(14-7-4-8-19-14,12-5-2-1-3-6-12)13-9-17-11-18-10-13/h1-11H
InChIKeyYIOHZBXJOUODGK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine?
The IUPAC name of 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine (CID 54510200) is 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine.
What is the SMILES notation for 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine?
The canonical SMILES for 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine is FC(c1ccccc1)(c1cncnc1)c1ccco1.
What is the InChIKey of 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine?
The InChIKey is YIOHZBXJOUODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-15(14-7-4-8-19-14,12-5-2-1-3-6-12)13-9-17-11-18-10-13/h1-11H.
What are the key properties of 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine?
5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine has a molecular weight of 254.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro-(furan-2-yl)-phenylmethyl]pyrimidine is sourced from PubChem (CID 54510200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).