4-fluoro-6-methoxypyrimidine

C5H5FN2O — CID 45080334

IUPAC4-fluoro-6-methoxypyrimidine
SMILESCOc1cc(F)ncn1
InChIInChI=1S/C5H5FN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKeyAWTUHMFGXGFDQW-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.62
Rot. Bonds1

About 4-fluoro-6-methoxypyrimidine

4-fluoro-6-methoxypyrimidine (PubChem CID 45080334) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 4-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxypyrimidine
PubChem CID45080334
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name4-fluoro-6-methoxypyrimidine
SMILESCOc1cc(F)ncn1
InChIInChI=1S/C5H5FN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
InChIKeyAWTUHMFGXGFDQW-UHFFFAOYSA-N
XLogP0.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxypyrimidine?
The IUPAC name of 4-fluoro-6-methoxypyrimidine (CID 45080334) is 4-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxypyrimidine?
The canonical SMILES for 4-fluoro-6-methoxypyrimidine is COc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-methoxypyrimidine?
The InChIKey is AWTUHMFGXGFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3.
What are the key properties of 4-fluoro-6-methoxypyrimidine?
4-fluoro-6-methoxypyrimidine has a molecular weight of 128.11 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 45080334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).