5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one

C12H11BrN2O2 — CID 66310199

IUPAC5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOc1ccccc1
InChIInChI=1S/C12H11BrN2O2/c13-11-8-14-9-15(12(11)16)6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyCFAOTXJNWNSQEI-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.08
Rot. Bonds4

About 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one

5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one (PubChem CID 66310199) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one
PubChem CID66310199
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCOc1ccccc1
InChIInChI=1S/C12H11BrN2O2/c13-11-8-14-9-15(12(11)16)6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyCFAOTXJNWNSQEI-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(2-phenoxyethyl)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-phenoxyethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one (CID 66310199) is 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCOc1ccccc1.
What is the InChIKey of 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one?
The InChIKey is CFAOTXJNWNSQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-11-8-14-9-15(12(11)16)6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one?
5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one has a molecular weight of 295.14 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 66310199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).