3-(5-iodo-6-oxopyrimidin-1-yl)propanamide

C7H8IN3O2 — CID 66308439

IUPAC3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C7H8IN3O2/c8-5-3-10-4-11(7(5)13)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyOAIDBYUUBBZAGR-UHFFFAOYSA-N
MW293.06 g/mol
LogP-0.28
Rot. Bonds3

About 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide

3-(5-iodo-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66308439) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
PubChem CID66308439
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C7H8IN3O2/c8-5-3-10-4-11(7(5)13)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyOAIDBYUUBBZAGR-UHFFFAOYSA-N
XLogP-0.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-6-oxopyrimidine-5-carboxamide
CID 155723614
3-(5-Methyl-6-oxopyrimidin-1-yl)propanamide
CID 178676437
3-(6-Oxopyrimidin-1-yl)propanamide
CID 63770432
3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
3-(5-Iodo-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 66308004
3-(2-Aminoethyl)-5-iodopyrimidin-4-one
CID 66308415
5-Iodo-3-(3-oxobutyl)pyrimidin-4-one
CID 66308446
N-ethyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66308648
3-(5-Iodo-6-oxopyrimidin-1-yl)propanehydrazide
CID 66308882
2-(5-Iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309065
5-Iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66309077

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide (CID 66308439) is 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide is NC(=O)CCn1cncc(I)c1=O.
What is the InChIKey of 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is OAIDBYUUBBZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c8-5-3-10-4-11(7(5)13)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12).
What are the key properties of 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
3-(5-iodo-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 293.06 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66308439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).