4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one

C7H9IN2O3 — CID 66286581

IUPAC4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12)
InChIKeyAPSODYGNLZGXOG-UHFFFAOYSA-N
MW296.06 g/mol
LogP0.27
Rot. Bonds3

About 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 66286581) has the molecular formula C7H9IN2O3 and a molecular weight of 296.06 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID66286581
Molecular FormulaC7H9IN2O3
Molecular Weight296.06 g/mol
Exact Mass295.97
IUPAC Name4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12)
InChIKeyAPSODYGNLZGXOG-UHFFFAOYSA-N
XLogP0.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.06
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one (CID 66286581) is 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one is COCCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is APSODYGNLZGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O3/c1-13-3-2-4-9-6(11)5(8)7(12)10-4/h2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 296.06 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).