1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

C20H24N4O — CID 118738772

IUPAC1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(c1ncccn1)CC2
InChIInChI=1S/C20H24N4O/c1-2-24-18(25)17(16-7-4-3-5-8-16)15-20(24)9-13-23(14-10-20)19-21-11-6-12-22-19/h3-8,11-12,17H,2,9-10,13-15H2,1H3
InChIKeyLXENVYLALJYYIR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds3

About 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118738772) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118738772
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(c1ncccn1)CC2
InChIInChI=1S/C20H24N4O/c1-2-24-18(25)17(16-7-4-3-5-8-16)15-20(24)9-13-23(14-10-20)19-21-11-6-12-22-19/h3-8,11-12,17H,2,9-10,13-15H2,1H3
InChIKeyLXENVYLALJYYIR-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-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-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118738772) is 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)C(c2ccccc2)CC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LXENVYLALJYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-18(25)17(16-7-4-3-5-8-16)15-20(24)9-13-23(14-10-20)19-21-11-6-12-22-19/h3-8,11-12,17H,2,9-10,13-15H2,1H3.
What are the key properties of 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118738772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).