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

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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).