5-fluoro-1-methoxypyrimidine-2,4-dione

C5H5FN2O3 — CID 164899020

IUPAC5-fluoro-1-methoxypyrimidine-2,4-dione
SMILESCOn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O3/c1-11-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyKAFBBGRQCIRICZ-UHFFFAOYSA-N
MW160.10 g/mol
LogP-1.27
Rot. Bonds1

About 5-fluoro-1-methoxypyrimidine-2,4-dione

5-fluoro-1-methoxypyrimidine-2,4-dione (PubChem CID 164899020) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is 5-fluoro-1-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-methoxypyrimidine-2,4-dione
PubChem CID164899020
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name5-fluoro-1-methoxypyrimidine-2,4-dione
SMILESCOn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O3/c1-11-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyKAFBBGRQCIRICZ-UHFFFAOYSA-N
XLogP-1.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methoxypyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-methoxypyrimidine-2,4-dione (CID 164899020) is 5-fluoro-1-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-methoxypyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-methoxypyrimidine-2,4-dione is COn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-methoxypyrimidine-2,4-dione?
The InChIKey is KAFBBGRQCIRICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c1-11-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10).
What are the key properties of 5-fluoro-1-methoxypyrimidine-2,4-dione?
5-fluoro-1-methoxypyrimidine-2,4-dione has a molecular weight of 160.10 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 164899020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).