4-ethoxy-2-(3-fluorophenyl)pyrimidine

C12H11FN2O — CID 58166131

IUPAC4-ethoxy-2-(3-fluorophenyl)pyrimidine
SMILESCCOc1ccnc(-c2cccc(F)c2)n1
InChIInChI=1S/C12H11FN2O/c1-2-16-11-6-7-14-12(15-11)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3
InChIKeyOOXUJGNGSQFRHW-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.68
Rot. Bonds3

About 4-ethoxy-2-(3-fluorophenyl)pyrimidine

4-ethoxy-2-(3-fluorophenyl)pyrimidine (PubChem CID 58166131) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-ethoxy-2-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-(3-fluorophenyl)pyrimidine
PubChem CID58166131
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-ethoxy-2-(3-fluorophenyl)pyrimidine
SMILESCCOc1ccnc(-c2cccc(F)c2)n1
InChIInChI=1S/C12H11FN2O/c1-2-16-11-6-7-14-12(15-11)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3
InChIKeyOOXUJGNGSQFRHW-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-fluorophenyl)pyrimidine?
The IUPAC name of 4-ethoxy-2-(3-fluorophenyl)pyrimidine (CID 58166131) is 4-ethoxy-2-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-ethoxy-2-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 4-ethoxy-2-(3-fluorophenyl)pyrimidine is CCOc1ccnc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-ethoxy-2-(3-fluorophenyl)pyrimidine?
The InChIKey is OOXUJGNGSQFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-16-11-6-7-14-12(15-11)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3.
What are the key properties of 4-ethoxy-2-(3-fluorophenyl)pyrimidine?
4-ethoxy-2-(3-fluorophenyl)pyrimidine has a molecular weight of 218.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 58166131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).