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

C11H8N2O4 — CID 154115607

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl) benzoate
SMILESO=C(Oc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C11H8N2O4/c14-9-8(6-12-11(16)13-9)17-10(15)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16)
InChIKeyZYBKPDKBSIXUCF-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.28
Rot. Bonds2

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

(2,4-dioxo-1H-pyrimidin-5-yl) benzoate (PubChem CID 154115607) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl) benzoate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl) benzoate
PubChem CID154115607
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl) benzoate
SMILESO=C(Oc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C11H8N2O4/c14-9-8(6-12-11(16)13-9)17-10(15)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16)
InChIKeyZYBKPDKBSIXUCF-UHFFFAOYSA-N
XLogP0.28
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046
5-[(E)-1-chloro-3-oxo-3-phenylprop-1-enyl]-1H-pyrimidine-2,4-dione
CID 20835139
[2-[(E)-3-oxoprop-1-enyl]phenyl] benzoate
CID 10467367
(1,5-diacetyl-6-benzoyloxynaphthalen-2-yl) benzoate
CID 571452
(2,5-dioxopyrrol-3-yl) benzoate
CID 70270981
2-(4-benzoyloxy-1H-indol-3-yl)acetic acid
CID 14185779
CID 66656222
CID 66656222
phenyl 2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 142660292
(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid
CID 57350248
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
(3,5-dioxo-1,2,4-triazolidin-1-yl) benzoate
CID 174610582
cycloocten-1-yl benzoate
CID 85420159

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) benzoate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) benzoate (CID 154115607) is (2,4-dioxo-1H-pyrimidin-5-yl) benzoate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl) benzoate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl) benzoate is O=C(Oc1c[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl) benzoate?
The InChIKey is ZYBKPDKBSIXUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-9-8(6-12-11(16)13-9)17-10(15)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl) benzoate?
(2,4-dioxo-1H-pyrimidin-5-yl) benzoate has a molecular weight of 232.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl) benzoate is sourced from PubChem (CID 154115607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).