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

C5H5FN2O2 — CID 70405585

IUPAC3-(fluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CF
InChIInChI=1S/C5H5FN2O2/c6-3-8-4(9)1-2-7-5(8)10/h1-2H,3H2,(H,7,10)
InChIKeyUPDWJGXVJKOURC-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.54
Rot. Bonds1

About 3-(fluoromethyl)-1H-pyrimidine-2,4-dione

3-(fluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 70405585) has the molecular formula C5H5FN2O2 and a molecular weight of 144.11 g/mol. Its IUPAC name is 3-(fluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(fluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID70405585
Molecular FormulaC5H5FN2O2
Molecular Weight144.11 g/mol
Exact Mass144.03
IUPAC Name3-(fluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CF
InChIInChI=1S/C5H5FN2O2/c6-3-8-4(9)1-2-7-5(8)10/h1-2H,3H2,(H,7,10)
InChIKeyUPDWJGXVJKOURC-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 ≤ 500144.11
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 3-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(fluoromethyl)-1H-pyrimidine-2,4-dione (CID 70405585) is 3-(fluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(fluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CF.
What is the InChIKey of 3-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UPDWJGXVJKOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-3-8-4(9)1-2-7-5(8)10/h1-2H,3H2,(H,7,10).
What are the key properties of 3-(fluoromethyl)-1H-pyrimidine-2,4-dione?
3-(fluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 144.11 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 3-(fluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70405585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).