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

C10H15IN2O3 — CID 116705761

IUPAC2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15IN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyVTKNWQDJZWXKOM-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.81
Rot. Bonds4

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

2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705761) has the molecular formula C10H15IN2O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116705761
Molecular FormulaC10H15IN2O3
Molecular Weight338.15 g/mol
Exact Mass338.01
IUPAC Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15IN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyVTKNWQDJZWXKOM-UHFFFAOYSA-N
XLogP1.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-5-iodo-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 66285163
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780
2-butan-2-yl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285982
4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66286572
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
2-(ethoxymethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286784
4-hydroxy-5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201860
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116705761) is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC(c1nc(O)c(I)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VTKNWQDJZWXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3/c1-4-16-7(5(2)3)8-12-9(14)6(11)10(15)13-8/h5,7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 338.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).