5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C17H14N2O4 — CID 73010358

IUPAC5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc2ccccc12
InChIInChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)
InChIKeySLNOQVWHLSWYRT-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.70
Rot. Bonds4

About 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 73010358) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID73010358
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc2ccccc12
InChIInChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)
InChIKeySLNOQVWHLSWYRT-UHFFFAOYSA-N
XLogP1.70
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
CID 71816172
5-(2-isoquinolin-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134137429
2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134157478
7-(2-methylphenyl)-3-(4-naphthalen-1-ylbutyl)-1H-indole-2-carboxylic acid
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2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-(3-naphthalen-1-yloxypropyl)-7-[2-[4-(3-phenylpropyl)phenyl]ethyl]-1H-indole-2-carboxylic acid
CID 68933208
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
3-(3-naphthalen-1-yloxypropyl)-7-(2-propylanilino)-1H-indole-2-carboxylic acid
CID 68941775
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-(3,3-dichloropropyl)naphthalene
CID 54458566

Frequently Asked Questions

What is the IUPAC name of 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 73010358) is 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc2ccccc12.
What is the InChIKey of 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is SLNOQVWHLSWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23).
What are the key properties of 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 73010358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).