2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one

C10H13IN2O2 — CID 116705918

IUPAC2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13IN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14)
InChIKeyWBTASUXCUKHNMB-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.86
Rot. Bonds4

About 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705918) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
PubChem CID116705918
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13IN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14)
InChIKeyWBTASUXCUKHNMB-UHFFFAOYSA-N
XLogP1.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(ethoxy)methyl]-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

5-iodo-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66314923
2-(1-ethoxyethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316168
5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616630
5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837975
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705757
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705765
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705906

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one (CID 116705918) is 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one is CCOC(c1ncc(I)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WBTASUXCUKHNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-2-15-8(6-3-4-6)9-12-5-7(11)10(14)13-9/h5-6,8H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).