3-benzyl-1-hydroxypyrimidine-2,4-dione

C11H10N2O3 — CID 44541207

IUPAC3-benzyl-1-hydroxypyrimidine-2,4-dione
SMILESO=c1ccn(O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C11H10N2O3/c14-10-6-7-13(16)11(15)12(10)8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChIKeyWSQAYXUOXHJDKE-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.30
Rot. Bonds2

About 3-benzyl-1-hydroxypyrimidine-2,4-dione

3-benzyl-1-hydroxypyrimidine-2,4-dione (PubChem CID 44541207) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-benzyl-1-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-hydroxypyrimidine-2,4-dione
PubChem CID44541207
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-benzyl-1-hydroxypyrimidine-2,4-dione
SMILESO=c1ccn(O)c(=O)n1Cc1ccccc1
InChIInChI=1S/C11H10N2O3/c14-10-6-7-13(16)11(15)12(10)8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChIKeyWSQAYXUOXHJDKE-UHFFFAOYSA-N
XLogP0.30
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.30
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 3-benzyl-1-hydroxypyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-hydroxypyrimidine-2,4-dione (CID 44541207) is 3-benzyl-1-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-hydroxypyrimidine-2,4-dione is O=c1ccn(O)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-hydroxypyrimidine-2,4-dione?
The InChIKey is WSQAYXUOXHJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-6-7-13(16)11(15)12(10)8-9-4-2-1-3-5-9/h1-7,16H,8H2.
What are the key properties of 3-benzyl-1-hydroxypyrimidine-2,4-dione?
3-benzyl-1-hydroxypyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 44541207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).