4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one

C8H9IN2O3 — CID 66286570

IUPAC4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOC2)nc(O)c1I
InChIInChI=1S/C8H9IN2O3/c9-5-7(12)10-6(11-8(5)13)4-1-2-14-3-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyLWQBQXZIPKDVEW-UHFFFAOYSA-N
MW308.08 g/mol
LogP0.58
Rot. Bonds1

About 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 66286570) has the molecular formula C8H9IN2O3 and a molecular weight of 308.08 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID66286570
Molecular FormulaC8H9IN2O3
Molecular Weight308.08 g/mol
Exact Mass307.97
IUPAC Name4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOC2)nc(O)c1I
InChIInChI=1S/C8H9IN2O3/c9-5-7(12)10-6(11-8(5)13)4-1-2-14-3-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyLWQBQXZIPKDVEW-UHFFFAOYSA-N
XLogP0.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 50.58
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-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 66286570) is 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCOC2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is LWQBQXZIPKDVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3/c9-5-7(12)10-6(11-8(5)13)4-1-2-14-3-4/h4H,1-3H2,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 308.08 g/mol, XLogP of 0.58, 1 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-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66286570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).