ethyl imidazo[1,2-a]pyrimidine-2-carboxylate

C9H9N3O2 — CID 2759351

IUPACethyl imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2cccnc2n1
InChIInChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKeySORASSFGEFQWIH-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl imidazo[1,2-a]pyrimidine-2-carboxylate

ethyl imidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 2759351) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl imidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl imidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID2759351
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2cccnc2n1
InChIInChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKeySORASSFGEFQWIH-UHFFFAOYSA-N
XLogP0.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl imidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl imidazo[1,2-a]pyrimidine-2-carboxylate (CID 2759351) is ethyl imidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl imidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl imidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2cccnc2n1.
What is the InChIKey of ethyl imidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is SORASSFGEFQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3.
What are the key properties of ethyl imidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl imidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl imidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 2759351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).