6-(fluoromethyl)-1H-pyrimidin-2-one

C5H5FN2O — CID 91360897

IUPAC6-(fluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(CF)[nH]1
InChIInChI=1S/C5H5FN2O/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9)
InChIKeyGTDFJGSEJCIBLN-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.24
Rot. Bonds1

About 6-(fluoromethyl)-1H-pyrimidin-2-one

6-(fluoromethyl)-1H-pyrimidin-2-one (PubChem CID 91360897) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 6-(fluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(fluoromethyl)-1H-pyrimidin-2-one
PubChem CID91360897
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name6-(fluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(CF)[nH]1
InChIInChI=1S/C5H5FN2O/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9)
InChIKeyGTDFJGSEJCIBLN-UHFFFAOYSA-N
XLogP0.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(fluoromethyl)-1H-pyrimidin-2-one (CID 91360897) is 6-(fluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(fluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(fluoromethyl)-1H-pyrimidin-2-one is O=c1nccc(CF)[nH]1.
What is the InChIKey of 6-(fluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is GTDFJGSEJCIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-3-4-1-2-7-5(9)8-4/h1-2H,3H2,(H,7,8,9).
What are the key properties of 6-(fluoromethyl)-1H-pyrimidin-2-one?
6-(fluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 128.11 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91360897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).