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

C6H7FN2O — CID 147189139

IUPAC6-(1-fluoroethyl)-1H-pyrimidin-2-one
SMILESCC(F)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H7FN2O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyTUBXUBXBXAAUKK-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.80
Rot. Bonds1

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

6-(1-fluoroethyl)-1H-pyrimidin-2-one (PubChem CID 147189139) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-fluoroethyl)-1H-pyrimidin-2-one
PubChem CID147189139
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name6-(1-fluoroethyl)-1H-pyrimidin-2-one
SMILESCC(F)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H7FN2O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyTUBXUBXBXAAUKK-UHFFFAOYSA-N
XLogP0.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-fluoroethyl)-1H-pyrimidin-2-one (CID 147189139) is 6-(1-fluoroethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-fluoroethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-fluoroethyl)-1H-pyrimidin-2-one is CC(F)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-(1-fluoroethyl)-1H-pyrimidin-2-one?
The InChIKey is TUBXUBXBXAAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4(7)5-2-3-8-6(10)9-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of 6-(1-fluoroethyl)-1H-pyrimidin-2-one?
6-(1-fluoroethyl)-1H-pyrimidin-2-one has a molecular weight of 142.13 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 147189139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).