ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate

C26H33N5O6 — CID 21060039

About ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate

ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate (PubChem CID 21060039) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
• PubChem CID: 21060039
• Molecular Formula: C26H33N5O6
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.24
• IUPAC Name: ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
• SMILES: CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(CC)C(=O)N3CC)n(C)c(=O)c1OCc1ccccc1
• InChI: InChI=1S/C26H33N5O6/c1-5-30-23(34)26(31(6-2)25(30)35)13-15-29(16-14-26)24-27-19(22(33)36-7-3)20(21(32)28(24)4)37-17-18-11-9-8-10-12-18/h8-12H,5-7,13-17H2,1-4H3
• InChIKey: RARODUJEUJLHND-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 114.28 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?

The IUPAC name of ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate (CID 21060039) is ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate.

What is the SMILES notation for ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?

The canonical SMILES for ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate is CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(CC)C(=O)N3CC)n(C)c(=O)c1OCc1ccccc1.

What is the InChIKey of ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?

The InChIKey is RARODUJEUJLHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6/c1-5-30-23(34)26(31(6-2)25(30)35)13-15-29(16-14-26)24-27-19(22(33)36-7-3)20(21(32)28(24)4)37-17-18-11-9-8-10-12-18/h8-12H,5-7,13-17H2,1-4H3.

What are the key properties of ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate?

ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate has a molecular weight of 511.58 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 21060039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).