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

C8H10IN3O2 — CID 66310131

IUPAC3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C8H10IN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyUYQWGIQZOGZKFL-UHFFFAOYSA-N
MW307.09 g/mol
LogP-0.02
Rot. Bonds3

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

3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 66310131) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID66310131
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C8H10IN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13)
InChIKeyUYQWGIQZOGZKFL-UHFFFAOYSA-N
XLogP-0.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 5-0.02
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-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 66310131) is 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cncc(I)c1=O.
What is the InChIKey of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is UYQWGIQZOGZKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-10-7(13)2-3-12-5-11-4-6(9)8(12)14/h4-5H,2-3H2,1H3,(H,10,13).
What are the key properties of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 307.09 g/mol, XLogP of -0.02, 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)-N-methylpropanamide is sourced from PubChem (CID 66310131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).