5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

C11H16BrClN2O4 — CID 114583311

IUPAC5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C11H16BrClN2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3
InChIKeyJLSULCXVPWYCAB-UHFFFAOYSA-N
MW355.62 g/mol
LogP1.34
Rot. Bonds9

About 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (PubChem CID 114583311) has the molecular formula C11H16BrClN2O4 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
PubChem CID114583311
Molecular FormulaC11H16BrClN2O4
Molecular Weight355.62 g/mol
Exact Mass354.00
IUPAC Name5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C11H16BrClN2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3
InChIKeyJLSULCXVPWYCAB-UHFFFAOYSA-N
XLogP1.34
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]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-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (CID 114583311) is 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is COCCOCCOCCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The InChIKey is JLSULCXVPWYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(13)9(12)11(15)16/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one has a molecular weight of 355.62 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).