ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate

C9H8BrN3O2 — CID 71305760

IUPACethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2cc(Br)cnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3
InChIKeyFTBIIQQYFCUUKD-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.67
Rot. Bonds2

About ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate

ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 71305760) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID71305760
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Nameethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2cc(Br)cnc12
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3
InChIKeyFTBIIQQYFCUUKD-UHFFFAOYSA-N
XLogP1.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate 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 ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate (CID 71305760) is ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2cc(Br)cnc12.
What is the InChIKey of ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is FTBIIQQYFCUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 270.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 71305760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).