1-benzyl-4,6-dimethylpyrimidin-2-one

C13H14N2O — CID 1237986

IUPAC1-benzyl-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C13H14N2O/c1-10-8-11(2)15(13(16)14-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeySJDAMXUASRMMTH-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.91
Rot. Bonds2

About 1-benzyl-4,6-dimethylpyrimidin-2-one

1-benzyl-4,6-dimethylpyrimidin-2-one (PubChem CID 1237986) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-benzyl-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-4,6-dimethylpyrimidin-2-one
PubChem CID1237986
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-benzyl-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C13H14N2O/c1-10-8-11(2)15(13(16)14-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeySJDAMXUASRMMTH-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-benzyl-4,6-dimethylpyrimidin-2-one (CID 1237986) is 1-benzyl-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(Cc2ccccc2)c(=O)n1.
What is the InChIKey of 1-benzyl-4,6-dimethylpyrimidin-2-one?
The InChIKey is SJDAMXUASRMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-8-11(2)15(13(16)14-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-benzyl-4,6-dimethylpyrimidin-2-one?
1-benzyl-4,6-dimethylpyrimidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 1237986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).