1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C18H16N2O2 — CID 10779980

IUPAC1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(O)c1
InChIInChI=1S/C18H16N2O2/c1-12-17(14-7-4-3-5-8-14)18(22)19-13(2)20(12)15-9-6-10-16(21)11-15/h3-11,21H,1-2H3
InChIKeyPTALSNICMZLZGU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.22
Rot. Bonds2

About 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 10779980) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID10779980
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(O)c1
InChIInChI=1S/C18H16N2O2/c1-12-17(14-7-4-3-5-8-14)18(22)19-13(2)20(12)15-9-6-10-16(21)11-15/h3-11,21H,1-2H3
InChIKeyPTALSNICMZLZGU-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 3311763
2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid
CID 1491830
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
CID 134564052
2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one
CID 3621837
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139
2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
CID 7241083

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 10779980) is 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is PTALSNICMZLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-17(14-7-4-3-5-8-14)18(22)19-13(2)20(12)15-9-6-10-16(21)11-15/h3-11,21H,1-2H3.
What are the key properties of 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 10779980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).