[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite

C10H15IN2O2 — CID 129055819

IUPAC[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite
SMILESCC(C)c1cnc(C(C)C)n(OI)c1=O
InChIInChI=1S/C10H15IN2O2/c1-6(2)8-5-12-9(7(3)4)13(15-11)10(8)14/h5-7H,1-4H3
InChIKeyDZNASNHFRLRPLM-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.27
Rot. Bonds3

About [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite

[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite (PubChem CID 129055819) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite.

Molecular Properties

Compound Name[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite
PubChem CID129055819
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite
SMILESCC(C)c1cnc(C(C)C)n(OI)c1=O
InChIInChI=1S/C10H15IN2O2/c1-6(2)8-5-12-9(7(3)4)13(15-11)10(8)14/h5-7H,1-4H3
InChIKeyDZNASNHFRLRPLM-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
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 [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite?
The IUPAC name of [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite (CID 129055819) is [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite.
What is the SMILES notation for [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite?
The canonical SMILES for [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite is CC(C)c1cnc(C(C)C)n(OI)c1=O.
What is the InChIKey of [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite?
The InChIKey is DZNASNHFRLRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-6(2)8-5-12-9(7(3)4)13(15-11)10(8)14/h5-7H,1-4H3.
What are the key properties of [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite?
[6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite has a molecular weight of 322.15 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-2,5-di(propan-2-yl)pyrimidin-1-yl] hypoiodite is sourced from PubChem (CID 129055819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).