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

C8H9IN2O4 — CID 66285780

IUPAC2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2COCCO2)nc(O)c1I
InChIInChI=1S/C8H9IN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyATOKZKAVIIZGSF-UHFFFAOYSA-N
MW324.07 g/mol
LogP0.17
Rot. Bonds1

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

2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66285780) has the molecular formula C8H9IN2O4 and a molecular weight of 324.07 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66285780
Molecular FormulaC8H9IN2O4
Molecular Weight324.07 g/mol
Exact Mass323.96
IUPAC Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2COCCO2)nc(O)c1I
InChIInChI=1S/C8H9IN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyATOKZKAVIIZGSF-UHFFFAOYSA-N
XLogP0.17
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.07
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65351154
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65351208
2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65351262
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
2-(1,4-dioxan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 66314501
4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077073
4-hydroxy-5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617594
2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 79667166
4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927170
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705761
4-hydroxy-5-iodo-2-(1-methoxypropyl)-1H-pyrimidin-6-one
CID 116705763

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66285780) is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(C2COCCO2)nc(O)c1I.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ATOKZKAVIIZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13).
What are the key properties of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 324.07 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66285780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).