2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

C9H10IN3O2 — CID 66309501

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H10IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h2,4,6H,1,3,5H2,(H,12,14)
InChIKeyHFFCREVLVASOFK-UHFFFAOYSA-N
MW319.10 g/mol
LogP0.15
Rot. Bonds4

About 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 66309501) has the molecular formula C9H10IN3O2 and a molecular weight of 319.10 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID66309501
Molecular FormulaC9H10IN3O2
Molecular Weight319.10 g/mol
Exact Mass318.98
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H10IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h2,4,6H,1,3,5H2,(H,12,14)
InChIKeyHFFCREVLVASOFK-UHFFFAOYSA-N
XLogP0.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 66309501) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is HFFCREVLVASOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O2/c1-2-3-12-8(14)5-13-6-11-4-7(10)9(13)15/h2,4,6H,1,3,5H2,(H,12,14).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 319.10 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 66309501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).