2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

C6H6IN3O2 — CID 66309065

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C6H6IN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyWHEGMJAORHHFDG-UHFFFAOYSA-N
MW279.04 g/mol
LogP-0.67
Rot. Bonds2

About 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66309065) has the molecular formula C6H6IN3O2 and a molecular weight of 279.04 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66309065
Molecular FormulaC6H6IN3O2
Molecular Weight279.04 g/mol
Exact Mass278.95
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C6H6IN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyWHEGMJAORHHFDG-UHFFFAOYSA-N
XLogP-0.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.04
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66309065) is 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is NC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is WHEGMJAORHHFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 279.04 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66309065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).