2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C8H10IN3O2 — CID 66308423

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C8H10IN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3
InChIKeyVBXXXFCYQOCBHK-UHFFFAOYSA-N
MW307.09 g/mol
LogP-0.06
Rot. Bonds2

About 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 66308423) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID66308423
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C8H10IN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3
InChIKeyVBXXXFCYQOCBHK-UHFFFAOYSA-N
XLogP-0.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
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)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 66308423) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VBXXXFCYQOCBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-11(2)7(13)4-12-5-10-3-6(9)8(12)14/h3,5H,4H2,1-2H3.
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 307.09 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 66308423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).