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

C9H12IN3O2 — CID 66307801

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyXYPXWFLZSDXZLP-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.37
Rot. Bonds4

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide (PubChem CID 66307801) 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-propylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
PubChem CID66307801
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14)
InChIKeyXYPXWFLZSDXZLP-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308829
5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide
CID 66310802
N-(3-amino-4-fluorophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308622
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309265
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
3-[2-(diethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66309055
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66309570
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
3-[3-(ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
CID 66309061
5-iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide (CID 66307801) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide?
The InChIKey is XYPXWFLZSDXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,2-3,5H2,1H3,(H,12,14).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide has a molecular weight of 321.12 g/mol, XLogP of 0.37, 4 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-propylacetamide is sourced from PubChem (CID 66307801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).