2-methyl-1,6-diphenylpyrimidin-4-one

C17H14N2O — CID 2303894

IUPAC2-methyl-1,6-diphenylpyrimidin-4-one
SMILESCc1nc(=O)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13-18-17(20)12-16(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyFLHOTAOCVSITAB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-1,6-diphenylpyrimidin-4-one

2-methyl-1,6-diphenylpyrimidin-4-one (PubChem CID 2303894) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-1,6-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1,6-diphenylpyrimidin-4-one
PubChem CID2303894
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-1,6-diphenylpyrimidin-4-one
SMILESCc1nc(=O)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13-18-17(20)12-16(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyFLHOTAOCVSITAB-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,6-diphenylpyrimidin-4-one?
The IUPAC name of 2-methyl-1,6-diphenylpyrimidin-4-one (CID 2303894) is 2-methyl-1,6-diphenylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-1,6-diphenylpyrimidin-4-one?
The canonical SMILES for 2-methyl-1,6-diphenylpyrimidin-4-one is Cc1nc(=O)cc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-1,6-diphenylpyrimidin-4-one?
The InChIKey is FLHOTAOCVSITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-18-17(20)12-16(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 2-methyl-1,6-diphenylpyrimidin-4-one?
2-methyl-1,6-diphenylpyrimidin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,6-diphenylpyrimidin-4-one is sourced from PubChem (CID 2303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).