ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate

C11H13N3O3 — CID 131987884

IUPACethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(CC)cc(=O)[nH]c12
InChIInChI=1S/C11H13N3O3/c1-3-7-5-8(15)13-10-9(11(16)17-4-2)12-6-14(7)10/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyZNCNPXFLMFGNOL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.76
Rot. Bonds3

About ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate

ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 131987884) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID131987884
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(CC)cc(=O)[nH]c12
InChIInChI=1S/C11H13N3O3/c1-3-7-5-8(15)13-10-9(11(16)17-4-2)12-6-14(7)10/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyZNCNPXFLMFGNOL-UHFFFAOYSA-N
XLogP0.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate (CID 131987884) is ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2c(CC)cc(=O)[nH]c12.
What is the InChIKey of ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is ZNCNPXFLMFGNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-7-5-8(15)13-10-9(11(16)17-4-2)12-6-14(7)10/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 131987884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).