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

C9H12IN3O2 — CID 66310768

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-6(2)12-8(14)4-13-5-11-3-7(10)9(13)15/h3,5-6H,4H2,1-2H3,(H,12,14)
InChIKeyPGBLJSGKXXBINT-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.37
Rot. Bonds3

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 66310768) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID66310768
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-6(2)12-8(14)4-13-5-11-3-7(10)9(13)15/h3,5-6H,4H2,1-2H3,(H,12,14)
InChIKeyPGBLJSGKXXBINT-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 50.37
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-propan-2-ylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 66310768) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is PGBLJSGKXXBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-6(2)12-8(14)4-13-5-11-3-7(10)9(13)15/h3,5-6H,4H2,1-2H3,(H,12,14).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 321.12 g/mol, XLogP of 0.37, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 66310768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).