3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one

C20H18N2O4 — CID 67007502

IUPAC3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=C(Cn1cnc(OCc2ccccc2)cc1=O)c1ccc(CO)cc1
InChIInChI=1S/C20H18N2O4/c23-12-15-6-8-17(9-7-15)18(24)11-22-14-21-19(10-20(22)25)26-13-16-4-2-1-3-5-16/h1-10,14,23H,11-13H2
InChIKeyRIEOWYRPAWEEBC-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.20
Rot. Bonds7

About 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one

3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one (PubChem CID 67007502) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one
PubChem CID67007502
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one
SMILESO=C(Cn1cnc(OCc2ccccc2)cc1=O)c1ccc(CO)cc1
InChIInChI=1S/C20H18N2O4/c23-12-15-6-8-17(9-7-15)18(24)11-22-14-21-19(10-20(22)25)26-13-16-4-2-1-3-5-16/h1-10,14,23H,11-13H2
InChIKeyRIEOWYRPAWEEBC-UHFFFAOYSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-4-phenylmethoxypyrimidin-1-yl)acetamide
CID 21089070
3-[(4-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090110
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
CID 88583208
CID 88583208
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 68892721
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
[1-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]pyrrol-2-yl] acetate
CID 174734769
4-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]benzonitrile
CID 62025794

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one (CID 67007502) is 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one is O=C(Cn1cnc(OCc2ccccc2)cc1=O)c1ccc(CO)cc1.
What is the InChIKey of 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one?
The InChIKey is RIEOWYRPAWEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-12-15-6-8-17(9-7-15)18(24)11-22-14-21-19(10-20(22)25)26-13-16-4-2-1-3-5-16/h1-10,14,23H,11-13H2.
What are the key properties of 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one?
3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one has a molecular weight of 350.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 67007502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).