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

C9H11IN2O2 — CID 82837975

IUPAC5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(I)c(=O)[nH]2)O1
InChIInChI=1S/C9H11IN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyARVJYXSJIIRKTC-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.61
Rot. Bonds1

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

5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 82837975) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID82837975
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(I)c(=O)[nH]2)O1
InChIInChI=1S/C9H11IN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyARVJYXSJIIRKTC-UHFFFAOYSA-N
XLogP1.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.61
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 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 82837975) is 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2ncc(I)c(=O)[nH]2)O1.
What is the InChIKey of 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ARVJYXSJIIRKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 306.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82837975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).