ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate

C9H11N3O4 — CID 71682289

IUPACethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)C1=C2CNC(=O)N2C(=O)NC1
InChIInChI=1S/C9H11N3O4/c1-2-16-7(13)5-3-10-8(14)12-6(5)4-11-9(12)15/h2-4H2,1H3,(H,10,14)(H,11,15)
InChIKeyVBLYBRBTWGFQMF-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.45
Rot. Bonds2

About ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate

ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 71682289) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
PubChem CID71682289
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Nameethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)C1=C2CNC(=O)N2C(=O)NC1
InChIInChI=1S/C9H11N3O4/c1-2-16-7(13)5-3-10-8(14)12-6(5)4-11-9(12)15/h2-4H2,1H3,(H,10,14)(H,11,15)
InChIKeyVBLYBRBTWGFQMF-UHFFFAOYSA-N
XLogP-0.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]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 2-methyl-3-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylate
CID 123601285
ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 102424167
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
3-O-ethyl 5-O-fluoro 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143531548
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
diethyl 2,6-dimethyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate
CID 58624989
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
ethyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 103577213
ethyl 4-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
CID 10467980
bis[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl] (E)-but-2-enedioate
CID 27922681
ethyl 6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 33055290

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate (CID 71682289) is ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)C1=C2CNC(=O)N2C(=O)NC1.
What is the InChIKey of ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is VBLYBRBTWGFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-16-7(13)5-3-10-8(14)12-6(5)4-11-9(12)15/h2-4H2,1H3,(H,10,14)(H,11,15).
What are the key properties of ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate?
ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 225.20 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 71682289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).