5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

C26H24N2O4 — CID 11711619

IUPAC5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N2O4/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)28(26(31)27-25(21)30)16-24(29)18-11-13-20(32-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,30,31)
InChIKeyITCPUIIIDMNBJW-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.73
Rot. Bonds7

About 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11711619) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID11711619
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N2O4/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)28(26(31)27-25(21)30)16-24(29)18-11-13-20(32-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,30,31)
InChIKeyITCPUIIIDMNBJW-UHFFFAOYSA-N
XLogP3.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-propionamide
CID 44338275
Ethyl 4-[2-[(4-methoxybenzoyl)amino]-3-(1-naphthyl)acryloyl]-1-piperazinecarboxylate
CID 5344647
1-(Benzyloxymethyl)-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
CID 16077334
6-{[3-(6-methoxy-2-naphthoyl)piperidin-1-yl]carbonyl}-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 16192329
4-methoxy-N-[(Z)-3-(4-methylpiperazin-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 25162963
N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-(2-methylbenzoyl)benzamide
CID 145983933
N-[3-(4-methoxyphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-2-carboxamide
CID 44564049
4-benzoyl-N-[2-(4-methoxyphenyl)ethyl-methylcarbamoyl]benzamide
CID 117948168
4-(4-acetylphenoxy)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 24687474
1-(Benzyloxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
CID 16077328
3'-[2-(4-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 16358680

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 11711619) is 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is CCc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ITCPUIIIDMNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-21-23(15-19-9-6-8-17-7-4-5-10-22(17)19)28(26(31)27-25(21)30)16-24(29)18-11-13-20(32-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,30,31).
What are the key properties of 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 428.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11711619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).