2-benzyl-6-methyl-3-phenylpyrimidin-4-one

C18H16N2O — CID 13280786

IUPAC2-benzyl-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(Cc2ccccc2)n1
InChIInChI=1S/C18H16N2O/c1-14-12-18(21)20(16-10-6-3-7-11-16)17(19-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyAQBZQHZNRDKVRY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.13
Rot. Bonds3

About 2-benzyl-6-methyl-3-phenylpyrimidin-4-one

2-benzyl-6-methyl-3-phenylpyrimidin-4-one (PubChem CID 13280786) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-benzyl-6-methyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-3-phenylpyrimidin-4-one
PubChem CID13280786
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-benzyl-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(Cc2ccccc2)n1
InChIInChI=1S/C18H16N2O/c1-14-12-18(21)20(16-10-6-3-7-11-16)17(19-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyAQBZQHZNRDKVRY-UHFFFAOYSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-3-phenylpyrimidin-4-one?
The IUPAC name of 2-benzyl-6-methyl-3-phenylpyrimidin-4-one (CID 13280786) is 2-benzyl-6-methyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2-benzyl-6-methyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 2-benzyl-6-methyl-3-phenylpyrimidin-4-one is Cc1cc(=O)n(-c2ccccc2)c(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-methyl-3-phenylpyrimidin-4-one?
The InChIKey is AQBZQHZNRDKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-12-18(21)20(16-10-6-3-7-11-16)17(19-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3.
What are the key properties of 2-benzyl-6-methyl-3-phenylpyrimidin-4-one?
2-benzyl-6-methyl-3-phenylpyrimidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 13280786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).