5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione

C8H11IN2O3 — CID 14842387

IUPAC5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione
SMILESCCOC(CI)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11IN2O3/c1-2-14-6(3-9)5-4-10-8(13)11-7(5)12/h4,6H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyILNRLHKJWVSDOW-UHFFFAOYSA-N
MW310.09 g/mol
LogP0.58
Rot. Bonds4

About 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione

5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione (PubChem CID 14842387) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione
PubChem CID14842387
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione
SMILESCCOC(CI)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11IN2O3/c1-2-14-6(3-9)5-4-10-8(13)11-7(5)12/h4,6H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyILNRLHKJWVSDOW-UHFFFAOYSA-N
XLogP0.58
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione (CID 14842387) is 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione is CCOC(CI)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ILNRLHKJWVSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O3/c1-2-14-6(3-9)5-4-10-8(13)11-7(5)12/h4,6H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione?
5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 310.09 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxy-2-iodoethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14842387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).