methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate

C10H11N3O3 — CID 125426333

IUPACmethyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCc1[nH]c2nccn2c(=O)c1C(=O)OC
InChIInChI=1S/C10H11N3O3/c1-3-6-7(9(15)16-2)8(14)13-5-4-11-10(13)12-6/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyVEVHNCCCAZJVNL-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.37
Rot. Bonds2

About methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate

methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 125426333) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID125426333
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCc1[nH]c2nccn2c(=O)c1C(=O)OC
InChIInChI=1S/C10H11N3O3/c1-3-6-7(9(15)16-2)8(14)13-5-4-11-10(13)12-6/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyVEVHNCCCAZJVNL-UHFFFAOYSA-N
XLogP0.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
CID 125425561
ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate
CID 143705018
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
methyl 1-hydroxyimidazole-2-carboxylate
CID 83387353
methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 35029418
ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen
CID 145221746
methyl 2-ethyl-4-methyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46554484
methyl 5-ethyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 121212204
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
acetyl 2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 150448759
methyl 2-ethyl-4-methyl-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55767652

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate (CID 125426333) is methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate is CCc1[nH]c2nccn2c(=O)c1C(=O)OC.
What is the InChIKey of methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is VEVHNCCCAZJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-6-7(9(15)16-2)8(14)13-5-4-11-10(13)12-6/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 125426333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).