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

C26H24N2O5 — CID 11640838

IUPAC5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCCOc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N2O5/c1-3-33-24-22(15-19-9-6-8-17-7-4-5-10-21(17)19)28(26(31)27-25(24)30)16-23(29)18-11-13-20(32-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,30,31)
InChIKeyCFGUJZWYMLDTIA-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.57
Rot. Bonds8

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

5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11640838) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID11640838
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCCOc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N2O5/c1-3-33-24-22(15-19-9-6-8-17-7-4-5-10-21(17)19)28(26(31)27-25(24)30)16-23(29)18-11-13-20(32-2)14-12-18/h4-14H,3,15-16H2,1-2H3,(H,27,30,31)
InChIKeyCFGUJZWYMLDTIA-UHFFFAOYSA-N
XLogP3.57
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 11640838) is 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is CCOc1c(Cc2cccc3ccccc23)n(CC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is CFGUJZWYMLDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-3-33-24-22(15-19-9-6-8-17-7-4-5-10-21(17)19)28(26(31)27-25(24)30)16-23(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-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 444.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11640838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).