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

C10H14IN3O2 — CID 66308025

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3
InChIKeyHFFZSWQQIZKNBZ-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.71
Rot. Bonds3

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 66308025) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID66308025
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3
InChIKeyHFFZSWQQIZKNBZ-UHFFFAOYSA-N
XLogP0.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 66308025) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is HFFZSWQQIZKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7(2)13(3)9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 335.15 g/mol, XLogP of 0.71, 3 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).