5-Isopropyl-6-(3,5-dimethylphenyl)thio-2,4-pyrimidinedione

HCID 10493727

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(C)cc(Sc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1
InChIKey: FPDHHHYNYYUQLB-UHFFFAOYSA-N
Molecular formula: C15H18N2O2S
Average molar mass: 290.4 g/mol

Names & identifiers

Preferred name: 5-Isopropyl-6-(3,5-dimethylphenyl)thio-2,4-pyrimidinedione
IUPAC: 6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione

Names & synonyms

SCHEMBL6086504FPDHHHYNYYUQLB-UHFFFAOYSA-N5-Isopropyl-6-(3,5-dimethylphenyl)thio-2,4-pyrimidinedione5-Isopropyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione

Database identifiers

PubChem CID: 10493727

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 435

Related reactions

52 records

New reaction record

HRID 92792As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99063As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135413As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180214As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 181259As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 194837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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