3-(2-fluoroethyl)pyrimidin-4-one

C6H7FN2O — CID 115696928

IUPAC3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCF
InChIInChI=1S/C6H7FN2O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4H2
InChIKeyUINOLZDEGSSMHA-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.21
Rot. Bonds2

About 3-(2-fluoroethyl)pyrimidin-4-one

3-(2-fluoroethyl)pyrimidin-4-one (PubChem CID 115696928) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 3-(2-fluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)pyrimidin-4-one
PubChem CID115696928
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCF
InChIInChI=1S/C6H7FN2O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4H2
InChIKeyUINOLZDEGSSMHA-UHFFFAOYSA-N
XLogP0.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
5-Fluoro-3-methylpyrimidin-4(3H)-one
CID 21602096
1-Ethylpyrimidin-4-one
CID 426506
2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
CID 45087635
6-Fluoro-3-methyl-4-pyrimidinone
CID 129719242
4h-Pyrimido[1,6-a]pyrimidin-4-one
CID 18919015
4H-Pyrazino(1,2-a)pyrimidin-4-one
CID 23635952
3-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-4-one
CID 21570736
3-(Trifluoromethyl)pyrimidin-4-one
CID 21621534
1-(Trifluoromethyl)pyrimidin-4-one
CID 142545405

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-fluoroethyl)pyrimidin-4-one (CID 115696928) is 3-(2-fluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)pyrimidin-4-one is O=c1ccncn1CCF.
What is the InChIKey of 3-(2-fluoroethyl)pyrimidin-4-one?
The InChIKey is UINOLZDEGSSMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4H2.
What are the key properties of 3-(2-fluoroethyl)pyrimidin-4-one?
3-(2-fluoroethyl)pyrimidin-4-one has a molecular weight of 142.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 115696928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).