5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine

C14H9FN2O — CID 127053044

IUPAC5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine
SMILESFc1cccc(-c2cncnc2-c2ccco2)c1
InChIInChI=1S/C14H9FN2O/c15-11-4-1-3-10(7-11)12-8-16-9-17-14(12)13-5-2-6-18-13/h1-9H
InChIKeyKRXVLJAQGHBNTA-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.54
Rot. Bonds2

About 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine

5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine (PubChem CID 127053044) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine
PubChem CID127053044
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine
SMILESFc1cccc(-c2cncnc2-c2ccco2)c1
InChIInChI=1S/C14H9FN2O/c15-11-4-1-3-10(7-11)12-8-16-9-17-14(12)13-5-2-6-18-13/h1-9H
InChIKeyKRXVLJAQGHBNTA-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine?
The IUPAC name of 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine (CID 127053044) is 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine is Fc1cccc(-c2cncnc2-c2ccco2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine?
The InChIKey is KRXVLJAQGHBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-11-4-1-3-10(7-11)12-8-16-9-17-14(12)13-5-2-6-18-13/h1-9H.
What are the key properties of 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine?
5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine has a molecular weight of 240.24 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(furan-2-yl)pyrimidine is sourced from PubChem (CID 127053044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).