2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C11H17IN2O3 — CID 116705759

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17IN2O3/c1-5-17-7(11(2,3)4)8-13-9(15)6(12)10(16)14-8/h7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWRGJQEFVQILYHJ-UHFFFAOYSA-N
MW352.17 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705759) has the molecular formula C11H17IN2O3 and a molecular weight of 352.17 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116705759
Molecular FormulaC11H17IN2O3
Molecular Weight352.17 g/mol
Exact Mass352.03
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17IN2O3/c1-5-17-7(11(2,3)4)8-13-9(15)6(12)10(16)14-8/h7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyWRGJQEFVQILYHJ-UHFFFAOYSA-N
XLogP2.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 52.20
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 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116705759) is 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WRGJQEFVQILYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O3/c1-5-17-7(11(2,3)4)8-13-9(15)6(12)10(16)14-8/h7H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 352.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).