2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one

C18H16N2O — CID 616621

IUPAC2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one
SMILESCc1ccc(-n2c(-c3ccccc3)cc(=O)nc2C)cc1
InChIInChI=1S/C18H16N2O/c1-13-8-10-16(11-9-13)20-14(2)19-18(21)12-17(20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyJCFOPMYFHGAKFB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.52
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one

2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one (PubChem CID 616621) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one
PubChem CID616621
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one
SMILESCc1ccc(-n2c(-c3ccccc3)cc(=O)nc2C)cc1
InChIInChI=1S/C18H16N2O/c1-13-8-10-16(11-9-13)20-14(2)19-18(21)12-17(20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyJCFOPMYFHGAKFB-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one (CID 616621) is 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one is Cc1ccc(-n2c(-c3ccccc3)cc(=O)nc2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one?
The InChIKey is JCFOPMYFHGAKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-10-16(11-9-13)20-14(2)19-18(21)12-17(20)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one?
2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-6-phenylpyrimidin-4-one is sourced from PubChem (CID 616621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).