(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate

C19H14N2O5 — CID 11428053

IUPAC(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate
SMILESO=C(OCc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C19H14N2O5/c22-16(13-7-3-1-4-8-13)21-17(23)15(11-20-19(21)25)12-26-18(24)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25)
InChIKeyPMFKKPHJRDFHPC-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.58
Rot. Bonds4

About (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate

(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate (PubChem CID 11428053) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate.

Molecular Properties

Compound Name(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate
PubChem CID11428053
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate
SMILESO=C(OCc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O)c1ccccc1
InChIInChI=1S/C19H14N2O5/c22-16(13-7-3-1-4-8-13)21-17(23)15(11-20-19(21)25)12-26-18(24)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25)
InChIKeyPMFKKPHJRDFHPC-UHFFFAOYSA-N
XLogP1.58
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl benzoate
CID 2345
benzyl benzoate;2-phenylacetic acid
CID 70386781
[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
CID 70973154
azane;(2,3,4-trimethylphenyl)methyl benzoate
CID 67826555
2,2,2-trihydroxyethyl benzoate
CID 150026963
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethyl benzoate;ethene
CID 67969171
3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 71535148
(2-amino-3,5-dibromophenyl)methyl benzoate
CID 154191248
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 11371307
benzyl acetate;benzyl benzoate
CID 158805672
[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate?
The IUPAC name of (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate (CID 11428053) is (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate.
What is the SMILES notation for (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate?
The canonical SMILES for (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate is O=C(OCc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O)c1ccccc1.
What is the InChIKey of (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate?
The InChIKey is PMFKKPHJRDFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-16(13-7-3-1-4-8-13)21-17(23)15(11-20-19(21)25)12-26-18(24)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25).
What are the key properties of (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate?
(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate has a molecular weight of 350.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate is sourced from PubChem (CID 11428053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).