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

C9H11IN2O3 — CID 82836955

IUPAC4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(I)c(=O)[nH]2)O1
InChIInChI=1S/C9H11IN2O3/c1-4-2-3-5(15-4)7-11-8(13)6(10)9(14)12-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyWYOIXIAULZBSKS-UHFFFAOYSA-N
MW322.10 g/mol
LogP1.32
Rot. Bonds1

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

4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 82836955) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID82836955
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(I)c(=O)[nH]2)O1
InChIInChI=1S/C9H11IN2O3/c1-4-2-3-5(15-4)7-11-8(13)6(10)9(14)12-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyWYOIXIAULZBSKS-UHFFFAOYSA-N
XLogP1.32
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 51.32
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-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 82836955) is 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2nc(O)c(I)c(=O)[nH]2)O1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is WYOIXIAULZBSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-4-2-3-5(15-4)7-11-8(13)6(10)9(14)12-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 322.10 g/mol, XLogP of 1.32, 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-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82836955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).