[5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid

C16H26FN4O7P — CID 171568317

About [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid

[5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid (PubChem CID 171568317) has the molecular formula C16H26FN4O7P and a molecular weight of 436.38 g/mol. Its IUPAC name is [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid.

Molecular Properties

• Compound Name: [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid
• PubChem CID: 171568317
• Molecular Formula: C16H26FN4O7P
• Molecular Weight: 436.38 g/mol
• Exact Mass: 436.15
• IUPAC Name: [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid
• SMILES: CCc1cn(C2OC(COP(=O)(O)NCC(=O)OC(C)C)CC2F)c(=O)nc1N
• InChI: InChI=1S/C16H26FN4O7P/c1-4-10-7-21(16(23)20-14(10)18)15-12(17)5-11(28-15)8-26-29(24,25)19-6-13(22)27-9(2)3/h7,9,11-12,15H,4-6,8H2,1-3H3,(H2,18,20,23)(H2,19,24,25)
• InChIKey: WFDJIMRWMSQTJT-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 155.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.38
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid?

The IUPAC name of [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid (CID 171568317) is [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid.

What is the SMILES notation for [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid?

The canonical SMILES for [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid is CCc1cn(C2OC(COP(=O)(O)NCC(=O)OC(C)C)CC2F)c(=O)nc1N.

What is the InChIKey of [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid?

The InChIKey is WFDJIMRWMSQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN4O7P/c1-4-10-7-21(16(23)20-14(10)18)15-12(17)5-11(28-15)8-26-29(24,25)19-6-13(22)27-9(2)3/h7,9,11-12,15H,4-6,8H2,1-3H3,(H2,18,20,23)(H2,19,24,25).

What are the key properties of [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid?

[5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid has a molecular weight of 436.38 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-amino-5-ethyl-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidic acid is sourced from PubChem (CID 171568317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).