ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate

C13H12N2O3 — CID 122358525

IUPACethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1cnc[nH]c1=O
InChIInChI=1S/C13H12N2O3/c1-2-18-13(17)10-6-4-3-5-9(10)11-7-14-8-15-12(11)16/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyZDUXGVZSAYVMCO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate

ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate (PubChem CID 122358525) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
PubChem CID122358525
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Nameethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1cnc[nH]c1=O
InChIInChI=1S/C13H12N2O3/c1-2-18-13(17)10-6-4-3-5-9(10)11-7-14-8-15-12(11)16/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyZDUXGVZSAYVMCO-UHFFFAOYSA-N
XLogP1.61
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate 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-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
ethyl 2-(2-carbonazidoylphenyl)benzoate
CID 24938767
ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
CID 143972666
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
acetic acid;ethyl 2-ethylbenzoate
CID 162337312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate?
The IUPAC name of ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate (CID 122358525) is ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate.
What is the SMILES notation for ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate?
The canonical SMILES for ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate is CCOC(=O)c1ccccc1-c1cnc[nH]c1=O.
What is the InChIKey of ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate?
The InChIKey is ZDUXGVZSAYVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-18-13(17)10-6-4-3-5-9(10)11-7-14-8-15-12(11)16/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate?
ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate has a molecular weight of 244.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate is sourced from PubChem (CID 122358525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).