4-(2-(Bromomethyl)-5-chlorothiazolo[4,5-d]pyrimidin-7-yl)morpholine

HCID 57685396

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1nc(N2CCOCC2)c2sc(CBr)nc2n1
InChIKey: GOVAGHYLGXQPBY-UHFFFAOYSA-N
Molecular formula: C10H10BrClN4OS
Average molar mass: 349.64 g/mol

Names & identifiers

Preferred name: 4-(2-(Bromomethyl)-5-chlorothiazolo[4,5-d]pyrimidin-7-yl)morpholine
IUPAC: 4-[2-(bromomethyl)-5-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine

Names & synonyms

4-(2-(Bromomethyl)-5-chlorothiazolo[4,5-d]pyrimidin-7-yl)morpholine4-[2-(BROMOMETHYL)-5-CHLOROTHIAZOLO[4,5-D]PYRIMIDIN-7-YL]MORPHOLINESCHEMBL1192642GOVAGHYLGXQPBY-UHFFFAOYSA-NDB-3672081137278-48-8

Database identifiers

PubChem CID: 57685396

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 79.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 297

Related reactions

6 records

New reaction record

HRID 1211771As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1365772As productuspto-grants-2011_02

HRID 1365773As reactantuspto-grants-2011_02

HRID 1569200As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1692749As productuspto-grants-2012_04

HRID 1692750As reactantuspto-grants-2012_04

Compound notes

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