Isopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylate

HCID 51050526

Substructure search Find similar structures

Basic information

Standard SMILES: COc1c(Cl)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIKey: ZSTVVHDPLQWOHI-UHFFFAOYSA-N
Molecular formula: C14H20ClN3O4
Average molar mass: 329.78 g/mol
Monoisotopic mass: 329.1142338

Names & identifiers

Preferred name: Isopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylate
IUPAC: propan-2-yl 4-(6-chloro-5-methoxypyrimidin-4-yl)oxypiperidine-1-carboxylate

Names & synonyms

SCHEMBL288503ZSTVVHDPLQWOHI-UHFFFAOYSA-Nisopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylate897732-25-1DA-33475isopropyl 4-(6-chloro-5-methoxypyrimidin-4-yloxy)piperidine-1-carboxylate4-(6-chloro-5-methoxy-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl ester

Database identifiers

PubChem CID: 51050526

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 73.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 364

Related reactions

29 records

New reaction record

HRID 112As reactant750 AstraZeneca ELN dataset

HRID 424As reactant750 AstraZeneca ELN dataset

HRID 425As reactant750 AstraZeneca ELN dataset

HRID 117850As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121875As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135464As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 139428As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 207692As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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