6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C26H27N3O2 — CID 108774501

About 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774501) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 108774501
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: Cc1cc(C)c2c(c1)C(=O)CC1(CCN(c3cc(-c4ccccc4)nc(C)n3)CC1)O2
• InChI: InChI=1S/C26H27N3O2/c1-17-13-18(2)25-21(14-17)23(30)16-26(31-25)9-11-29(12-10-26)24-15-22(27-19(3)28-24)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3
• InChIKey: CYQIXMFIFWGZRS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774501) is 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)c2c(c1)C(=O)CC1(CCN(c3cc(-c4ccccc4)nc(C)n3)CC1)O2.

What is the InChIKey of 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is CYQIXMFIFWGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-13-18(2)25-21(14-17)23(30)16-26(31-25)9-11-29(12-10-26)24-15-22(27-19(3)28-24)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3.

What are the key properties of 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?

6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 413.52 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).