N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide

C9H12IN3O2 — CID 66309493

IUPACN-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3
InChIKeyWRWOKHQFLGHWLT-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.33
Rot. Bonds3

About N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide

N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 66309493) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID66309493
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC NameN-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C9H12IN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3
InChIKeyWRWOKHQFLGHWLT-UHFFFAOYSA-N
XLogP0.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 50.33
H-Bond Donors ≤ 50
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-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 66309493) is N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide is CCN(C)C(=O)Cn1cncc(I)c1=O.
What is the InChIKey of N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is WRWOKHQFLGHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c1-3-12(2)8(14)5-13-6-11-4-7(10)9(13)15/h4,6H,3,5H2,1-2H3.
What are the key properties of N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide?
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 321.12 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 66309493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).