2-(4-((2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropanamide

HCID 57494012

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIKey: QOXAEZZMQTYGNI-UHFFFAOYSA-N
Molecular formula: C19H27ClN6O2S
Average molar mass: 439 g/mol

Names & identifiers

Preferred name: 2-(4-((2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropanamide
IUPAC: 2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropanamide

Names & synonyms

SCHEMBL190600QOXAEZZMQTYGNI-UHFFFAOYSA-NDB-1492762-(4-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropanamide2-[4-[[2-Chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]isobutyramide885699-28-5

Database identifiers

PubChem CID: 57494012

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 585

Related reactions

23 records

New reaction record

HRID 96796As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102532As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 187039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204349As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 686234As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 817520As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1563517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1922879As reactantuspto-grants-2012_05

Compound notes

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