4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one

C6H7FN2O — CID 136869704

IUPAC4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one
SMILESC[C@H](F)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H7FN2O/c1-4(7)5-2-6(10)9-3-8-5/h2-4H,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJDOIUIUOQJNADX-BYPYZUCNSA-N
MW142.13 g/mol
LogP0.80
Rot. Bonds1

About 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one

4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one (PubChem CID 136869704) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one
PubChem CID136869704
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one
SMILESC[C@H](F)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H7FN2O/c1-4(7)5-2-6(10)9-3-8-5/h2-4H,1H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJDOIUIUOQJNADX-BYPYZUCNSA-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 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one (CID 136869704) is 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one is C[C@H](F)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one?
The InChIKey is JDOIUIUOQJNADX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4(7)5-2-6(10)9-3-8-5/h2-4H,1H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one?
4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-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 4-[(1S)-1-fluoroethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136869704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).