2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine

C14H12FN3O2 — CID 115404113

IUPAC2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C14H12FN3O2/c1-19-12-7-13(20-2)18-8-11(16-14(18)17-12)9-4-3-5-10(15)6-9/h3-8H,1-2H3
InChIKeyBHLMKARRALDSJH-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine

2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine (PubChem CID 115404113) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
PubChem CID115404113
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C14H12FN3O2/c1-19-12-7-13(20-2)18-8-11(16-14(18)17-12)9-4-3-5-10(15)6-9/h3-8H,1-2H3
InChIKeyBHLMKARRALDSJH-UHFFFAOYSA-N
XLogP2.55
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine 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 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine (CID 115404113) is 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine is COc1cc(OC)n2cc(-c3cccc(F)c3)nc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The InChIKey is BHLMKARRALDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-19-12-7-13(20-2)18-8-11(16-14(18)17-12)9-4-3-5-10(15)6-9/h3-8H,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine has a molecular weight of 273.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).