8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H28N4O — CID 72894428

About 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72894428) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 72894428
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• SMILES: CCc1ncc(CN2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)cn1
• InChI: InChI=1S/C22H28N4O/c1-3-20-23-14-17(15-24-20)16-26-11-9-22(10-12-26)13-19(21(27)25(22)2)18-7-5-4-6-8-18/h4-8,14-15,19H,3,9-13,16H2,1-2H3
• InChIKey: YAFDKEPOILYLJS-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72894428) is 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCc1ncc(CN2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)cn1.

What is the InChIKey of 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is YAFDKEPOILYLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-20-23-14-17(15-24-20)16-26-11-9-22(10-12-26)13-19(21(27)25(22)2)18-7-5-4-6-8-18/h4-8,14-15,19H,3,9-13,16H2,1-2H3.

What are the key properties of 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?

8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72894428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).