3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione

C23H18N2O4 — CID 132500082

IUPAC3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)ccn(CCOc2ccc3ccccc3c2)c1=O
InChIInChI=1S/C23H18N2O4/c26-21-12-13-24(23(28)25(21)22(27)18-7-2-1-3-8-18)14-15-29-20-11-10-17-6-4-5-9-19(17)16-20/h1-13,16H,14-15H2
InChIKeyIHYHRFXBUJLAPG-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.93
Rot. Bonds5

About 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione

3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione (PubChem CID 132500082) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione
PubChem CID132500082
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)ccn(CCOc2ccc3ccccc3c2)c1=O
InChIInChI=1S/C23H18N2O4/c26-21-12-13-24(23(28)25(21)22(27)18-7-2-1-3-8-18)14-15-29-20-11-10-17-6-4-5-9-19(17)16-20/h1-13,16H,14-15H2
InChIKeyIHYHRFXBUJLAPG-UHFFFAOYSA-N
XLogP2.93
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-benzoyl-2,4-dioxopyrimidin-1-yl)propanal
CID 170428858
3-(2-indol-1-ylethoxy)benzoic acid
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1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one
CID 22769190
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
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7-naphthalen-2-yloxyheptanoic acid
CID 39371628
sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 173336218
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
2-(3-phenylpropoxy)naphthalene
CID 13432986
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione (CID 132500082) is 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione is O=C(c1ccccc1)n1c(=O)ccn(CCOc2ccc3ccccc3c2)c1=O.
What is the InChIKey of 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione?
The InChIKey is IHYHRFXBUJLAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21-12-13-24(23(28)25(21)22(27)18-7-2-1-3-8-18)14-15-29-20-11-10-17-6-4-5-9-19(17)16-20/h1-13,16H,14-15H2.
What are the key properties of 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione?
3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione has a molecular weight of 386.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 132500082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).