1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one

C19H18N2O — CID 781510

IUPAC1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-18(17-11-7-4-8-12-17)19(22)20-15(2)21(14)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyIWWDJFYCPQVMDZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.58
Rot. Bonds3

About 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one

1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 781510) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID781510
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-18(17-11-7-4-8-12-17)19(22)20-15(2)21(14)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyIWWDJFYCPQVMDZ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 781510) is 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is IWWDJFYCPQVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-18(17-11-7-4-8-12-17)19(22)20-15(2)21(14)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3.
What are the key properties of 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 781510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).