4-ethoxy-5-fluoro-6-methylpyrimidine

C7H9FN2O — CID 143208920

IUPAC4-ethoxy-5-fluoro-6-methylpyrimidine
SMILESCCOc1ncnc(C)c1F
InChIInChI=1S/C7H9FN2O/c1-3-11-7-6(8)5(2)9-4-10-7/h4H,3H2,1-2H3
InChIKeyNKFSXYOREZLZJS-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.32
Rot. Bonds2

About 4-ethoxy-5-fluoro-6-methylpyrimidine

4-ethoxy-5-fluoro-6-methylpyrimidine (PubChem CID 143208920) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-6-methylpyrimidine
PubChem CID143208920
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-ethoxy-5-fluoro-6-methylpyrimidine
SMILESCCOc1ncnc(C)c1F
InChIInChI=1S/C7H9FN2O/c1-3-11-7-6(8)5(2)9-4-10-7/h4H,3H2,1-2H3
InChIKeyNKFSXYOREZLZJS-UHFFFAOYSA-N
XLogP1.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-ethoxy-5-fluoro-6-methylpyrimidine (CID 143208920) is 4-ethoxy-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-ethoxy-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-ethoxy-5-fluoro-6-methylpyrimidine is CCOc1ncnc(C)c1F.
What is the InChIKey of 4-ethoxy-5-fluoro-6-methylpyrimidine?
The InChIKey is NKFSXYOREZLZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-3-11-7-6(8)5(2)9-4-10-7/h4H,3H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-6-methylpyrimidine?
4-ethoxy-5-fluoro-6-methylpyrimidine has a molecular weight of 156.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 143208920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).