3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C19H26N6O4 — CID 176502050

About 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 176502050) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
• PubChem CID: 176502050
• Molecular Formula: C19H26N6O4
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.20
• IUPAC Name: 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
• SMILES: CN1CC(=O)N(CC(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)C1=O
• InChI: InChI=1S/C19H26N6O4/c1-22(2)17-20-10-13-4-9-29-19(16(13)21-17)5-7-24(8-6-19)14(26)12-25-15(27)11-23(3)18(25)28/h10H,4-9,11-12H2,1-3H3
• InChIKey: BWRMGMDWOJWVAU-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 99.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 176502050) is 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The canonical SMILES for 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)C1=O.

What is the InChIKey of 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The InChIKey is BWRMGMDWOJWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-22(2)17-20-10-13-4-9-29-19(16(13)21-17)5-7-24(8-6-19)14(26)12-25-15(27)11-23(3)18(25)28/h10H,4-9,11-12H2,1-3H3.

What are the key properties of 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 402.46 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 176502050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).