3-benzoyl-1H-pyrimidine-2,4-dione

C11H8N2O3 — CID 569513

IUPAC3-benzoyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-9-6-7-12-11(16)13(9)10(15)8-4-2-1-3-5-8/h1-7H,(H,12,16)
InChIKeyRJAJHSYADHZMNA-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.23
Rot. Bonds1

About 3-benzoyl-1H-pyrimidine-2,4-dione

3-benzoyl-1H-pyrimidine-2,4-dione (PubChem CID 569513) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-benzoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1H-pyrimidine-2,4-dione
PubChem CID569513
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name3-benzoyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-9-6-7-12-11(16)13(9)10(15)8-4-2-1-3-5-8/h1-7H,(H,12,16)
InChIKeyRJAJHSYADHZMNA-UHFFFAOYSA-N
XLogP0.23
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-1H-pyrimidine-2,4-dione (CID 569513) is 3-benzoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-benzoyl-1H-pyrimidine-2,4-dione?
The InChIKey is RJAJHSYADHZMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-9-6-7-12-11(16)13(9)10(15)8-4-2-1-3-5-8/h1-7H,(H,12,16).
What are the key properties of 3-benzoyl-1H-pyrimidine-2,4-dione?
3-benzoyl-1H-pyrimidine-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 569513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).