1-(Cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione

HCID 9949342

Notes Reactions

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Basic information

Standard SMILES: CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O
InChIKey: OJLIJZKBOJEITI-UHFFFAOYSA-N
Molecular formula: C19H24N2O3
Average molar mass: 328.4 g/mol

Names & identifiers

Preferred name: 1-(Cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione
IUPAC: 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione

Names & synonyms

CHEMBL563829SCHEMBL6087753OJLIJZKBOJEITI-UHFFFAOYSA-NBDBM504806471-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione1-(Cyclobutyl)methyl-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-

Database identifiers

PubChem CID: 9949342
ChEMBL: CHEMBL563829

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 529

Related reactions

2 records

New reaction record

HRID 171656As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1611263As productuspto-grants-2006_01

Compound notes

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