N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide

C9H12IN3O2 — CID 66340862

IUPACN-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-3-11-7(14)4-13-5-12-6(2)8(10)9(13)15/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyPGSCGLOJVUVYRN-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.29
Rot. Bonds3

About N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide

N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66340862) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66340862
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC NameN-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-3-11-7(14)4-13-5-12-6(2)8(10)9(13)15/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyPGSCGLOJVUVYRN-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
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 N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66340862) is N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is CCNC(=O)Cn1cnc(C)c(I)c1=O.
What is the InChIKey of N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is PGSCGLOJVUVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-3-11-7(14)4-13-5-12-6(2)8(10)9(13)15/h5H,3-4H2,1-2H3,(H,11,14).
What are the key properties of N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 321.12 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66340862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).