ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate

C21H22N2O4 — CID 11530714

IUPACethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C21H22N2O4/c1-3-16-18(12-15-10-7-9-14-8-5-6-11-17(14)15)23(13-19(24)27-4-2)21(26)22-20(16)25/h5-11H,3-4,12-13H2,1-2H3,(H,22,25,26)
InChIKeyTTXIXPOFKKBACS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate

ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 11530714) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID11530714
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C21H22N2O4/c1-3-16-18(12-15-10-7-9-14-8-5-6-11-17(14)15)23(13-19(24)27-4-2)21(26)22-20(16)25/h5-11H,3-4,12-13H2,1-2H3,(H,22,25,26)
InChIKeyTTXIXPOFKKBACS-UHFFFAOYSA-N
XLogP2.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 11711619
5-ethyl-1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 509573
5-ethoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 11640838
5-methoxy-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 11553745
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 11654675
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)acetate
CID 67641154
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 509571
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate (CID 11530714) is ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate is CCOC(=O)Cn1c(Cc2cccc3ccccc23)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is TTXIXPOFKKBACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-16-18(12-15-10-7-9-14-8-5-6-11-17(14)15)23(13-19(24)27-4-2)21(26)22-20(16)25/h5-11H,3-4,12-13H2,1-2H3,(H,22,25,26).
What are the key properties of ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate?
ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 366.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-ethyl-6-(naphthalen-1-ylmethyl)-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 11530714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).