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

C11H13N3O4 — CID 131987853

IUPACethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(=O)cc(COC)[nH]c12
InChIInChI=1S/C11H13N3O4/c1-3-18-11(16)9-10-13-7(5-17-2)4-8(15)14(10)6-12-9/h4,6,13H,3,5H2,1-2H3
InChIKeyOKZYHFGSBUHJDZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.35
Rot. Bonds4

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

ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 131987853) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID131987853
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Nameethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(=O)cc(COC)[nH]c12
InChIInChI=1S/C11H13N3O4/c1-3-18-11(16)9-10-13-7(5-17-2)4-8(15)14(10)6-12-9/h4,6,13H,3,5H2,1-2H3
InChIKeyOKZYHFGSBUHJDZ-UHFFFAOYSA-N
XLogP0.35
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987884
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686047
ethyl 2-formyl-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987868
ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
CID 132577655
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 4-(methoxymethyl)-5-oxo-6,7,8,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
CID 54015314
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate
CID 14850450
ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 121318992
ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 76849789
ethyl 6,7-dimethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137004177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate (CID 131987853) is ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2c(=O)cc(COC)[nH]c12.
What is the InChIKey of ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is OKZYHFGSBUHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-3-18-11(16)9-10-13-7(5-17-2)4-8(15)14(10)6-12-9/h4,6,13H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 131987853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).