2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide

C11H16IN3O2 — CID 66310559

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-3-4-8(2)14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyGMMFIJHDTIWRAB-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.15
Rot. Bonds5

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 66310559) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID66310559
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-3-4-8(2)14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyGMMFIJHDTIWRAB-UHFFFAOYSA-N
XLogP1.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.15
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-pentan-2-ylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 66310559) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is GMMFIJHDTIWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-3-4-8(2)14-10(16)6-15-7-13-5-9(12)11(15)17/h5,7-8H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 349.17 g/mol, XLogP of 1.15, 5 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-pentan-2-ylacetamide is sourced from PubChem (CID 66310559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).