1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione

C12H12N2O3 — CID 52936425

IUPAC1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C12H12N2O3/c1-9-7-13(12(16)14(17)11(9)15)8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3
InChIKeyIKNXQZJJPHZRGY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.60
Rot. Bonds2

About 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione

1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 52936425) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID52936425
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2)c(=O)n(O)c1=O
InChIInChI=1S/C12H12N2O3/c1-9-7-13(12(16)14(17)11(9)15)8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3
InChIKeyIKNXQZJJPHZRGY-UHFFFAOYSA-N
XLogP0.60
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione (CID 52936425) is 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2ccccc2)c(=O)n(O)c1=O.
What is the InChIKey of 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is IKNXQZJJPHZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9-7-13(12(16)14(17)11(9)15)8-10-5-3-2-4-6-10/h2-7,17H,8H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione?
1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 52936425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).