ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate

C13H17N3O2 — CID 103200773

IUPACethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(CC)c(C)nc2n1
InChIInChI=1S/C13H17N3O2/c1-5-10-8(3)14-13-15-11(12(17)18-6-2)7-16(13)9(10)4/h7H,5-6H2,1-4H3
InChIKeyKFLKLQIUGAQBTA-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds3

About ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 103200773) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID103200773
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nameethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(CC)c(C)nc2n1
InChIInChI=1S/C13H17N3O2/c1-5-10-8(3)14-13-15-11(12(17)18-6-2)7-16(13)9(10)4/h7H,5-6H2,1-4H3
InChIKeyKFLKLQIUGAQBTA-UHFFFAOYSA-N
XLogP2.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200782
ethyl 1-[[3,5-bis[(4-ethoxycarbonyltriazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]triazole-4-carboxylate
CID 102226572
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200745
(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 13304953
ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200797
ethyl 1-methyl-2-nitroimidazole-4-carboxylate
CID 69328593
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
ethyl 5-(2,5-dimethylfuran-3-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200741
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate (CID 103200773) is ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(C)c(CC)c(C)nc2n1.
What is the InChIKey of ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is KFLKLQIUGAQBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-10-8(3)14-13-15-11(12(17)18-6-2)7-16(13)9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).