azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone

C8H8ClN3O — CID 130550489

IUPACazetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CCC1
InChIInChI=1S/C8H8ClN3O/c9-8-10-4-6(5-11-8)7(13)12-2-1-3-12/h4-5H,1-3H2
InChIKeyLERYCGYJOYKUNN-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.98
Rot. Bonds1

About azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone

azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone (PubChem CID 130550489) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
PubChem CID130550489
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Nameazetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CCC1
InChIInChI=1S/C8H8ClN3O/c9-8-10-4-6(5-11-8)7(13)12-2-1-3-12/h4-5H,1-3H2
InChIKeyLERYCGYJOYKUNN-UHFFFAOYSA-N
XLogP0.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone 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 azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone?
The IUPAC name of azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone (CID 130550489) is azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone?
The canonical SMILES for azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone is O=C(c1cnc(Cl)nc1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone?
The InChIKey is LERYCGYJOYKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-8-10-4-6(5-11-8)7(13)12-2-1-3-12/h4-5H,1-3H2.
What are the key properties of azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone?
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone has a molecular weight of 197.62 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone is sourced from PubChem (CID 130550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).