3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one

C24H24N4O6 — CID 137204210

IUPAC3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one
SMILESCCOCc1nc(O)c(Cc2ccc(-c3ncon3)cc2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C24H24N4O6/c1-4-33-13-20-26-23(29)17(12-15-8-10-16(11-9-15)22-25-14-34-27-22)24(30)28(20)21-18(31-2)6-5-7-19(21)32-3/h5-11,14,29H,4,12-13H2,1-3H3
InChIKeyOQFOPKWPGZURTK-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.13
Rot. Bonds9

About 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one

3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one (PubChem CID 137204210) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one
PubChem CID137204210
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one
SMILESCCOCc1nc(O)c(Cc2ccc(-c3ncon3)cc2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C24H24N4O6/c1-4-33-13-20-26-23(29)17(12-15-8-10-16(11-9-15)22-25-14-34-27-22)24(30)28(20)21-18(31-2)6-5-7-19(21)32-3/h5-11,14,29H,4,12-13H2,1-3H3
InChIKeyOQFOPKWPGZURTK-UHFFFAOYSA-N
XLogP3.13
TPSA121.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3S)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
CID 137198127
3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
CID 137197893
3-(2,6-dimethoxyphenyl)-2-(3-methylbutyl)-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4H-pyrimidine-4,6-diol
CID 167193789
2-(2-cyclopropylethyl)-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-[[4-(5-methyl-2-oxo-1-pyridinyl)phenyl]methyl]pyrimidin-4-one
CID 137204212
2-(ethoxymethyl)-6-hydroxy-3-[2-methoxy-6-(trideuteriomethoxy)phenyl]-5-[(3S)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
CID 159163985
5-[4-(2-chloro-5-fluorophenoxy)piperidine-1-carbonyl]-3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxypyrimidin-4-one
CID 137197941
2-butyl-3-(2,6-dimethoxyphenyl)-5-[(2Z)-2-ethenyl-3-methylpenta-2,4-dienyl]-6-hydroxypyrimidin-4-one;ethane
CID 145323745
4-(1,2,4-oxadiazol-3-yl)phenol
CID 135760588
3-(2,6-dimethoxyphenyl)-6-hydroxy-2-(3-methylbutyl)-5-pyridin-2-ylsulfonylpyrimidin-4-one
CID 139292916
2-butyl-3-(2,6-dimethoxyphenyl)-5-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-4H-pyrimidine-4,6-diol
CID 167194039
(4R)-8-methoxy-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126441518
2-(ethoxymethyl)-5-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 156554433

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one (CID 137204210) is 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one is CCOCc1nc(O)c(Cc2ccc(-c3ncon3)cc2)c(=O)n1-c1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is OQFOPKWPGZURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-4-33-13-20-26-23(29)17(12-15-8-10-16(11-9-15)22-25-14-34-27-22)24(30)28(20)21-18(31-2)6-5-7-19(21)32-3/h5-11,14,29H,4,12-13H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one?
3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 464.48 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-2-(ethoxymethyl)-6-hydroxy-5-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 137204210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).