5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H12N2O4 — CID 910752

IUPAC5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12N2O4/c1-14-11(17)9(12(18)15(2)13(14)19)10(16)8-6-4-3-5-7-8/h3-7,17H,1-2H3
InChIKeyURMZQZMLUFUHBT-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.02
Rot. Bonds2

About 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 910752) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID910752
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12N2O4/c1-14-11(17)9(12(18)15(2)13(14)19)10(16)8-6-4-3-5-7-8/h3-7,17H,1-2H3
InChIKeyURMZQZMLUFUHBT-UHFFFAOYSA-N
XLogP0.02
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 910752) is 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is URMZQZMLUFUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-14-11(17)9(12(18)15(2)13(14)19)10(16)8-6-4-3-5-7-8/h3-7,17H,1-2H3.
What are the key properties of 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).