5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one

C8H11BrN2O3 — CID 66310186

IUPAC5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOCCO
InChIInChI=1S/C8H11BrN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2
InChIKeyOGHADKPIMFKEBR-UHFFFAOYSA-N
MW263.09 g/mol
LogP0.01
Rot. Bonds5

About 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one

5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (PubChem CID 66310186) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
PubChem CID66310186
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOCCO
InChIInChI=1S/C8H11BrN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2
InChIKeyOGHADKPIMFKEBR-UHFFFAOYSA-N
XLogP0.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-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 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (CID 66310186) is 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is O=c1c(Br)cncn1CCOCCO.
What is the InChIKey of 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The InChIKey is OGHADKPIMFKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2.
What are the key properties of 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one has a molecular weight of 263.09 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66310186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).