2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C21H22FN5O5 — CID 54680887

About 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54680887) has the molecular formula C21H22FN5O5 and a molecular weight of 443.44 g/mol. Its IUPAC name is 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
• PubChem CID: 54680887
• Molecular Formula: C21H22FN5O5
• Molecular Weight: 443.44 g/mol
• Exact Mass: 443.16
• IUPAC Name: 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
• SMILES: Cn1c(N2CCCC3(CC(=O)NC3=O)C2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
• InChI: InChI=1S/C21H22FN5O5/c1-26-18(31)16(29)15(17(30)23-10-12-3-5-13(22)6-4-12)25-20(26)27-8-2-7-21(11-27)9-14(28)24-19(21)32/h3-6,29H,2,7-11H2,1H3,(H,23,30)(H,24,28,32)
• InChIKey: ZFIMLSQGWLOMOF-UHFFFAOYSA-N
• XLogP: 0.19
• TPSA: 133.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.44
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54680887) is 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is Cn1c(N2CCCC3(CC(=O)NC3=O)C2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O.

What is the InChIKey of 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?

The InChIKey is ZFIMLSQGWLOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5/c1-26-18(31)16(29)15(17(30)23-10-12-3-5-13(22)6-4-12)25-20(26)27-8-2-7-21(11-27)9-14(28)24-19(21)32/h3-6,29H,2,7-11H2,1H3,(H,23,30)(H,24,28,32).

What are the key properties of 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?

2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxo-2,9-diazaspiro[4.5]decan-9-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54680887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).