1-(fluoromethyl)pyrimidine-2,4-dione

C5H5FN2O2 — CID 18365926

IUPAC1-(fluoromethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CF)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-3-8-2-1-4(9)7-5(8)10/h1-2H,3H2,(H,7,9,10)
InChIKeyNPQXCBJSFXHLLZ-UHFFFAOYSA-N
MW144.10 g/mol
LogP-0.54
Rot. Bonds1

About 1-(fluoromethyl)pyrimidine-2,4-dione

1-(fluoromethyl)pyrimidine-2,4-dione (PubChem CID 18365926) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 1-(fluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(fluoromethyl)pyrimidine-2,4-dione
PubChem CID18365926
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name1-(fluoromethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CF)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-3-8-2-1-4(9)7-5(8)10/h1-2H,3H2,(H,7,9,10)
InChIKeyNPQXCBJSFXHLLZ-UHFFFAOYSA-N
XLogP-0.54
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(fluoromethyl)pyrimidine-2,4-dione (CID 18365926) is 1-(fluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(fluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(fluoromethyl)pyrimidine-2,4-dione is O=c1ccn(CF)c(=O)[nH]1.
What is the InChIKey of 1-(fluoromethyl)pyrimidine-2,4-dione?
The InChIKey is NPQXCBJSFXHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-3-8-2-1-4(9)7-5(8)10/h1-2H,3H2,(H,7,9,10).
What are the key properties of 1-(fluoromethyl)pyrimidine-2,4-dione?
1-(fluoromethyl)pyrimidine-2,4-dione has a molecular weight of 144.10 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18365926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).