2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide

C7H8IN3O2 — CID 66310771

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C7H8IN3O2/c1-9-6(12)3-11-4-10-2-5(8)7(11)13/h2,4H,3H2,1H3,(H,9,12)
InChIKeyAUHTWHDLGBQEEP-UHFFFAOYSA-N
MW293.06 g/mol
LogP-0.41
Rot. Bonds2

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 66310771) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID66310771
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C7H8IN3O2/c1-9-6(12)3-11-4-10-2-5(8)7(11)13/h2,4H,3H2,1H3,(H,9,12)
InChIKeyAUHTWHDLGBQEEP-UHFFFAOYSA-N
XLogP-0.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-0.41
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)-N-methylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 66310771) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is AUHTWHDLGBQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c1-9-6(12)3-11-4-10-2-5(8)7(11)13/h2,4H,3H2,1H3,(H,9,12).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 293.06 g/mol, XLogP of -0.41, 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)-N-methylacetamide is sourced from PubChem (CID 66310771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).