5-acetyl-1-benzylpyrimidine-2,4-dione

C13H12N2O3 — CID 3334243

IUPAC5-acetyl-1-benzylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12N2O3/c1-9(16)11-8-15(13(18)14-12(11)17)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17,18)
InChIKeyXGYGNSFBSSDNPP-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.79
Rot. Bonds3

About 5-acetyl-1-benzylpyrimidine-2,4-dione

5-acetyl-1-benzylpyrimidine-2,4-dione (PubChem CID 3334243) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-acetyl-1-benzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-benzylpyrimidine-2,4-dione
PubChem CID3334243
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-acetyl-1-benzylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12N2O3/c1-9(16)11-8-15(13(18)14-12(11)17)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17,18)
InChIKeyXGYGNSFBSSDNPP-UHFFFAOYSA-N
XLogP0.79
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-benzylpyrimidine-2,4-dione (CID 3334243) is 5-acetyl-1-benzylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-benzylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-benzylpyrimidine-2,4-dione is CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-benzylpyrimidine-2,4-dione?
The InChIKey is XGYGNSFBSSDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9(16)11-8-15(13(18)14-12(11)17)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17,18).
What are the key properties of 5-acetyl-1-benzylpyrimidine-2,4-dione?
5-acetyl-1-benzylpyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzylpyrimidine-2,4-dione is sourced from PubChem (CID 3334243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).