5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione

C13H13N3O3 — CID 2378521

IUPAC5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione
SMILESCC(=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13N3O3/c1-8(17)10-11(14)16(13(19)15-12(10)18)7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18,19)
InChIKeyOWYAXMSHYAJPHE-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.37
Rot. Bonds3

About 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione

5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione (PubChem CID 2378521) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione
PubChem CID2378521
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione
SMILESCC(=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13N3O3/c1-8(17)10-11(14)16(13(19)15-12(10)18)7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18,19)
InChIKeyOWYAXMSHYAJPHE-UHFFFAOYSA-N
XLogP0.37
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione (CID 2378521) is 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione is CC(=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione?
The InChIKey is OWYAXMSHYAJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)10-11(14)16(13(19)15-12(10)18)7-9-5-3-2-4-6-9/h2-6H,7,14H2,1H3,(H,15,18,19).
What are the key properties of 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione?
5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-amino-1-benzylpyrimidine-2,4-dione is sourced from PubChem (CID 2378521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).