5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine

C13H13FN2O — CID 144998407

IUPAC5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
SMILESCCOc1ccc(F)c(-c2cnc(C)nc2)c1
InChIInChI=1S/C13H13FN2O/c1-3-17-11-4-5-13(14)12(6-11)10-7-15-9(2)16-8-10/h4-8H,3H2,1-2H3
InChIKeyBADLVKOTKMUZDT-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.99
Rot. Bonds3

About 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine

5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine (PubChem CID 144998407) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
PubChem CID144998407
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
SMILESCCOc1ccc(F)c(-c2cnc(C)nc2)c1
InChIInChI=1S/C13H13FN2O/c1-3-17-11-4-5-13(14)12(6-11)10-7-15-9(2)16-8-10/h4-8H,3H2,1-2H3
InChIKeyBADLVKOTKMUZDT-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine?
The IUPAC name of 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine (CID 144998407) is 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine?
The canonical SMILES for 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine is CCOc1ccc(F)c(-c2cnc(C)nc2)c1.
What is the InChIKey of 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine?
The InChIKey is BADLVKOTKMUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-17-11-4-5-13(14)12(6-11)10-7-15-9(2)16-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine?
5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine has a molecular weight of 232.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine is sourced from PubChem (CID 144998407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).