5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one

C13H14N2O3 — CID 156516413

IUPAC5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1ccc(Cn2cnc(C)c(O)c2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-9-12(16)13(17)15(8-14-9)7-10-3-5-11(18-2)6-4-10/h3-6,8,16H,7H2,1-2H3
InChIKeyZVBRIHIIIFQZSD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds3

About 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one

5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 156516413) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
PubChem CID156516413
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
SMILESCOc1ccc(Cn2cnc(C)c(O)c2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-9-12(16)13(17)15(8-14-9)7-10-3-5-11(18-2)6-4-10/h3-6,8,16H,7H2,1-2H3
InChIKeyZVBRIHIIIFQZSD-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823049
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
3-chloro-5-[1-[(4-methoxyphenyl)methyl]-4-methyl-6-oxopyrimidin-5-yl]oxybenzonitrile
CID 121355292
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
1-[(4-methoxyphenyl)methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 134540798
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitroimidazole
CID 23242063
1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517680

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one (CID 156516413) is 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one is COc1ccc(Cn2cnc(C)c(O)c2=O)cc1.
What is the InChIKey of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is ZVBRIHIIIFQZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-12(16)13(17)15(8-14-9)7-10-3-5-11(18-2)6-4-10/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one?
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 156516413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).