4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one

C20H20N2O — CID 13298031

IUPAC4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one
SMILESCc1ccc(CCc2cc(C)nc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-15-8-10-17(11-9-15)12-13-19-14-16(2)21-20(23)22(19)18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3
InChIKeyVJCDMUSGLICWJW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.63
Rot. Bonds4

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

4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one (PubChem CID 13298031) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one
PubChem CID13298031
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one
SMILESCc1ccc(CCc2cc(C)nc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-15-8-10-17(11-9-15)12-13-19-14-16(2)21-20(23)22(19)18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3
InChIKeyVJCDMUSGLICWJW-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one
CID 13298034
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
CID 71396512
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786
1-(4-methoxyphenyl)-3-methyl-5-(2-phenylethyl)pyrazole
CID 15505631
CID 169013274
CID 169013274
7-methyl-3-[(4-methylphenyl)methyl]-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251423
1-(3-methylphenyl)-4-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 20897338
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2,5,6-trimethyl-3-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 14118251
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one?
The IUPAC name of 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one (CID 13298031) is 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one.
What is the SMILES notation for 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one?
The canonical SMILES for 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one is Cc1ccc(CCc2cc(C)nc(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one?
The InChIKey is VJCDMUSGLICWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15-8-10-17(11-9-15)12-13-19-14-16(2)21-20(23)22(19)18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one?
4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(4-methylphenyl)ethyl]-1-phenylpyrimidin-2-one is sourced from PubChem (CID 13298031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).