sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate

C10H9I2N4NaO5 — CID 158702381

About sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate

sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate (PubChem CID 158702381) has the molecular formula C10H9I2N4NaO5 and a molecular weight of 542.00 g/mol. Its IUPAC name is sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate.

Molecular Properties

• Compound Name: sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate
• PubChem CID: 158702381
• Molecular Formula: C10H9I2N4NaO5
• Molecular Weight: 542.00 g/mol
• Exact Mass: 541.86
• IUPAC Name: sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate
• SMILES: Nc1ncnc2c1c(I)cn2C1CC(=O)C1.[Na+].[O-][I+3]([O-])([O-])[O-]
• InChI: InChI=1S/C10H9IN4O.IO4.Na/c11-7-3-15(5-1-6(16)2-5)10-8(7)9(12)13-4-14-10;2-1(3,4)5;/h3-5H,1-2H2,(H2,12,13,14);;/q;-1;+1
• InChIKey: MNIDLSZGGKCOFM-UHFFFAOYSA-N
• XLogP: -9.23
• TPSA: 166.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.00
LogP ≤ 5	-9.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate?

The IUPAC name of sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate (CID 158702381) is sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate.

What is the SMILES notation for sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate?

The canonical SMILES for sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate is Nc1ncnc2c1c(I)cn2C1CC(=O)C1.[Na+].[O-][I+3]([O-])([O-])[O-].

What is the InChIKey of sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate?

The InChIKey is MNIDLSZGGKCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4O.IO4.Na/c11-7-3-15(5-1-6(16)2-5)10-8(7)9(12)13-4-14-10;2-1(3,4)5;/h3-5H,1-2H2,(H2,12,13,14);;/q;-1;+1.

What are the key properties of sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate?

sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate has a molecular weight of 542.00 g/mol, XLogP of -9.23, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate is sourced from PubChem (CID 158702381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).