5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 25420561

IUPAC5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(15)10(12(16)14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyCNITXKMJZFISJC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds2

About 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 25420561) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID25420561
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(15)10(12(16)14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyCNITXKMJZFISJC-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 25420561) is 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CNITXKMJZFISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-13-11(15)10(12(16)14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 25420561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).