3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide

C9H12IN3O2 — CID 66340439

IUPAC3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyJUBLGUFSARLCCO-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.29
Rot. Bonds3

About 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 66340439) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID66340439
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyJUBLGUFSARLCCO-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 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 66340439) is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(C)c(I)c1=O.
What is the InChIKey of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is JUBLGUFSARLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide 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 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66340439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).