4-ethoxy-5-iodo-1H-pyrimidin-6-one

C6H7IN2O2 — CID 114675914

IUPAC4-ethoxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H7IN2O2/c1-2-11-6-4(7)5(10)8-3-9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyRKTOSFVTJSXRNW-UHFFFAOYSA-N
MW266.04 g/mol
LogP0.77
Rot. Bonds2

About 4-ethoxy-5-iodo-1H-pyrimidin-6-one

4-ethoxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 114675914) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 4-ethoxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethoxy-5-iodo-1H-pyrimidin-6-one
PubChem CID114675914
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name4-ethoxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H7IN2O2/c1-2-11-6-4(7)5(10)8-3-9-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyRKTOSFVTJSXRNW-UHFFFAOYSA-N
XLogP0.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-ethoxy-5-iodo-1H-pyrimidin-6-one (CID 114675914) is 4-ethoxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethoxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethoxy-5-iodo-1H-pyrimidin-6-one is CCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-ethoxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RKTOSFVTJSXRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c1-2-11-6-4(7)5(10)8-3-9-6/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 4-ethoxy-5-iodo-1H-pyrimidin-6-one?
4-ethoxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 266.04 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114675914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).