methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate

C13H12N2O4 — CID 165456086

IUPACmethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc(OC)c(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O4/c1-18-10-7-14-11(15-12(10)16)8-3-5-9(6-4-8)13(17)19-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOCYYSRCXOMQULI-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.23
Rot. Bonds3

About methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate

methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate (PubChem CID 165456086) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
PubChem CID165456086
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc(OC)c(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O4/c1-18-10-7-14-11(15-12(10)16)8-3-5-9(6-4-8)13(17)19-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOCYYSRCXOMQULI-UHFFFAOYSA-N
XLogP1.23
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
methyl 4-(6-methyl-4-oxo-3H-pyrazolo[5,1-f][1,2,4]triazin-2-yl)benzoate
CID 136501881
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate
CID 49268432
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate?
The IUPAC name of methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate (CID 165456086) is methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate?
The canonical SMILES for methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate is COC(=O)c1ccc(-c2ncc(OC)c(=O)[nH]2)cc1.
What is the InChIKey of methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate?
The InChIKey is OCYYSRCXOMQULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-10-7-14-11(15-12(10)16)8-3-5-9(6-4-8)13(17)19-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate?
methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate has a molecular weight of 260.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate is sourced from PubChem (CID 165456086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).