5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one

C10H9ClFN3O — CID 172581443

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
SMILESO=C1N(c2nc(Cl)ncc2F)CCC12CC2
InChIInChI=1S/C10H9ClFN3O/c11-9-13-5-6(12)7(14-9)15-4-3-10(1-2-10)8(15)16/h5H,1-4H2
InChIKeyIHZSHFUUNGLPIZ-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.79
Rot. Bonds1

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one

5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one (PubChem CID 172581443) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
PubChem CID172581443
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
SMILESO=C1N(c2nc(Cl)ncc2F)CCC12CC2
InChIInChI=1S/C10H9ClFN3O/c11-9-13-5-6(12)7(14-9)15-4-3-10(1-2-10)8(15)16/h5H,1-4H2
InChIKeyIHZSHFUUNGLPIZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-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 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one (CID 172581443) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one is O=C1N(c2nc(Cl)ncc2F)CCC12CC2.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one?
The InChIKey is IHZSHFUUNGLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-9-13-5-6(12)7(14-9)15-4-3-10(1-2-10)8(15)16/h5H,1-4H2.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one?
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one has a molecular weight of 241.65 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 172581443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).