2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H11ClIN3O2 — CID 114583819

IUPAC2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C9H11ClIN3O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,1-3H3
InChIKeyWYLBLYNMFJPDFP-UHFFFAOYSA-N
MW355.56 g/mol
LogP1.15
Rot. Bonds2

About 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114583819) has the molecular formula C9H11ClIN3O2 and a molecular weight of 355.56 g/mol. Its IUPAC name is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114583819
Molecular FormulaC9H11ClIN3O2
Molecular Weight355.56 g/mol
Exact Mass354.96
IUPAC Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C9H11ClIN3O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,1-3H3
InChIKeyWYLBLYNMFJPDFP-UHFFFAOYSA-N
XLogP1.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66308025
N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308226
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66308233
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66340421
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66341769
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66342440
N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66342670
6-Chloro-5-iodo-3-pentan-2-ylpyrimidin-4-one
CID 107885732
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114583819) is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(Cl)c(I)c1=O.
What is the InChIKey of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is WYLBLYNMFJPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN3O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,1-3H3.
What are the key properties of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 355.56 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114583819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).