ethyl imidazo[1,2-a]pyrimidine-7-carboxylate

C9H9N3O2 — CID 51358225

IUPACethyl imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccn2ccnc2n1
InChIInChI=1S/C9H9N3O2/c1-2-14-8(13)7-3-5-12-6-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKeyUEALXPKDLOPVMM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl imidazo[1,2-a]pyrimidine-7-carboxylate

ethyl imidazo[1,2-a]pyrimidine-7-carboxylate (PubChem CID 51358225) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl imidazo[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl imidazo[1,2-a]pyrimidine-7-carboxylate
PubChem CID51358225
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccn2ccnc2n1
InChIInChI=1S/C9H9N3O2/c1-2-14-8(13)7-3-5-12-6-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKeyUEALXPKDLOPVMM-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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Related Compounds

CID 156642699
CID 156642699
CID 156642698
CID 156642698
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
ethyl 3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628329
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
ethyl pyridine-2-carboxylate
CID 17307
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
CID 146771474
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
ethyl 6-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 76849693
diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656

Frequently Asked Questions

What is the IUPAC name of ethyl imidazo[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl imidazo[1,2-a]pyrimidine-7-carboxylate (CID 51358225) is ethyl imidazo[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl imidazo[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl imidazo[1,2-a]pyrimidine-7-carboxylate is CCOC(=O)c1ccn2ccnc2n1.
What is the InChIKey of ethyl imidazo[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is UEALXPKDLOPVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-8(13)7-3-5-12-6-4-10-9(12)11-7/h3-6H,2H2,1H3.
What are the key properties of ethyl imidazo[1,2-a]pyrimidine-7-carboxylate?
ethyl imidazo[1,2-a]pyrimidine-7-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-7-carboxylate is sourced from PubChem (CID 51358225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).