2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one

C19H18N2O — CID 776578

IUPAC2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
SMILESCCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-17-20-19(22)18(15-10-6-4-7-11-15)14(2)21(17)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyBMKOKHWQONJAJX-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.77
Rot. Bonds3

About 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one

2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one (PubChem CID 776578) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
PubChem CID776578
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
SMILESCCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-17-20-19(22)18(15-10-6-4-7-11-15)14(2)21(17)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyBMKOKHWQONJAJX-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one?
The IUPAC name of 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one (CID 776578) is 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one?
The canonical SMILES for 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one is CCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one?
The InChIKey is BMKOKHWQONJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-17-20-19(22)18(15-10-6-4-7-11-15)14(2)21(17)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one?
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one is sourced from PubChem (CID 776578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).