4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

C8H12IN3O2 — CID 114586334

IUPAC4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-2-10-3-4-14-8-6(9)7(13)11-5-12-8/h5,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyXHULNFNINNDVNK-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.36
Rot. Bonds5

About 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586334) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
PubChem CID114586334
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-2-10-3-4-14-8-6(9)7(13)11-5-12-8/h5,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyXHULNFNINNDVNK-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(ethylamino)ethoxy]-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (CID 114586334) is 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is CCNCCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XHULNFNINNDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-2-10-3-4-14-8-6(9)7(13)11-5-12-8/h5,10H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).