1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

C11H11ClFN3O2 — CID 89489686

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCCC2)N1c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O2/c12-9-14-5-7(13)8(15-9)16-10(17)18-6-11(16)3-1-2-4-11/h5H,1-4,6H2
InChIKeyCCUUCMDRZLXQEF-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.54
Rot. Bonds1

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 89489686) has the molecular formula C11H11ClFN3O2 and a molecular weight of 271.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID89489686
Molecular FormulaC11H11ClFN3O2
Molecular Weight271.68 g/mol
Exact Mass271.05
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCCC2)N1c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O2/c12-9-14-5-7(13)8(15-9)16-10(17)18-6-11(16)3-1-2-4-11/h5H,1-4,6H2
InChIKeyCCUUCMDRZLXQEF-UHFFFAOYSA-N
XLogP2.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-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 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 89489686) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is O=C1OCC2(CCCC2)N1c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is CCUUCMDRZLXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2/c12-9-14-5-7(13)8(15-9)16-10(17)18-6-11(16)3-1-2-4-11/h5H,1-4,6H2.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 271.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 89489686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).