6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one

C9H12FN3O — CID 175923856

IUPAC6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(CCN2CC(F)C2)[nH]1
InChIInChI=1S/C9H12FN3O/c10-7-5-13(6-7)4-2-8-1-3-11-9(14)12-8/h1,3,7H,2,4-6H2,(H,11,12,14)
InChIKeyAKZLWPIIMKKWRO-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.03
Rot. Bonds3

About 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one

6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one (PubChem CID 175923856) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one
PubChem CID175923856
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(CCN2CC(F)C2)[nH]1
InChIInChI=1S/C9H12FN3O/c10-7-5-13(6-7)4-2-8-1-3-11-9(14)12-8/h1,3,7H,2,4-6H2,(H,11,12,14)
InChIKeyAKZLWPIIMKKWRO-UHFFFAOYSA-N
XLogP-0.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one (CID 175923856) is 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one is O=c1nccc(CCN2CC(F)C2)[nH]1.
What is the InChIKey of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one?
The InChIKey is AKZLWPIIMKKWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-7-5-13(6-7)4-2-8-1-3-11-9(14)12-8/h1,3,7H,2,4-6H2,(H,11,12,14).
What are the key properties of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one?
6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one has a molecular weight of 197.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 175923856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).