N-(2-(dimethylamino)ethyl)-5-methyl-4-(2-(tetrahydro-2H-pyran-4-yloxy)pyridin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (HCID 46182129)

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Basic information

Standard SMILES: Cc1c(C(=O)NCCN(C)C)sc2ncnc(Nc3cccnc3OC3CCOCC3)c12
InChIKey: IUAJHFNZKBZXDW-UHFFFAOYSA-N
Molecular formula: C22H28N6O3S
Average molar mass: 456.6 g/mol

Names & identifiers

Preferred name: N-(2-(dimethylamino)ethyl)-5-methyl-4-(2-(tetrahydro-2H-pyran-4-yloxy)pyridin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
IUPAC: N-[2-(dimethylamino)ethyl]-5-methyl-4-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

Names & synonyms

SCHEMBL6113142IUAJHFNZKBZXDW-UHFFFAOYSA-NN-(2-(dimethylamino)ethyl)-5-methyl-4-(2-(tetrahydro-2H-pyran-4-yloxy)pyridin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Database identifiers

PubChem CID: 46182129

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 130 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 608

Related reactions

2 records

New reaction record

HRID 450555As productuspto-grants-2013_07

HRID 1134679As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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