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

C8H12BrN3O2 — CID 114586331

IUPAC5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-2-10-3-4-14-8-6(9)7(13)11-5-12-8/h5,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyUGKITDVLERGDSJ-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.52
Rot. Bonds5

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

5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586331) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586331
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-2-10-3-4-14-8-6(9)7(13)11-5-12-8/h5,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyUGKITDVLERGDSJ-UHFFFAOYSA-N
XLogP0.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-4-[2-(ethylamino)ethoxy]-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-Bromo-3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one
CID 66308102
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586326
4-[2-(ethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586330
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586331) is 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one is CCNCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UGKITDVLERGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/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 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).