3-benzyl-6-hydroxy-2-methylpyrimidin-4-one

C12H12N2O2 — CID 135737348

IUPAC3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
SMILESCc1nc(O)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-13-11(15)7-12(16)14(9)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
InChIKeyLHLFPGPHAIHHJV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.31
Rot. Bonds2

About 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one

3-benzyl-6-hydroxy-2-methylpyrimidin-4-one (PubChem CID 135737348) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
PubChem CID135737348
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
SMILESCc1nc(O)cc(=O)n1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9-13-11(15)7-12(16)14(9)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
InChIKeyLHLFPGPHAIHHJV-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one?
The IUPAC name of 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one (CID 135737348) is 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one is Cc1nc(O)cc(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one?
The InChIKey is LHLFPGPHAIHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-13-11(15)7-12(16)14(9)8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3.
What are the key properties of 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one?
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-hydroxy-2-methylpyrimidin-4-one is sourced from PubChem (CID 135737348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).