ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate

C15H13N3O2 — CID 103200747

IUPACethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccccc3)ccnc2n1
InChIInChI=1S/C15H13N3O2/c1-2-20-14(19)12-10-18-13(8-9-16-15(18)17-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyUCZXGCGMCZCPIL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 103200747) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID103200747
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccccc3)ccnc2n1
InChIInChI=1S/C15H13N3O2/c1-2-20-14(19)12-10-18-13(8-9-16-15(18)17-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyUCZXGCGMCZCPIL-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 5-(2,5-dimethylfuran-3-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200741
ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211
ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200745
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200782
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 90023168
ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200797
ethyl imidazo[1,2-a]pyrimidine-7-carboxylate
CID 51358225
CID 156642699
CID 156642699
ethyl pyridine-2-carboxylate
CID 17307
ethyl 8-bromo-5-methylsulfanyl-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 139508768

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate (CID 103200747) is ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(-c3ccccc3)ccnc2n1.
What is the InChIKey of ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is UCZXGCGMCZCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-14(19)12-10-18-13(8-9-16-15(18)17-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).