Methyl 5-phenyl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)-1-piperidyl]thieno[2,3-d]pyrimidine-6-carboxylate

HCID 89579481
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Basic information

Standard SMILES
COC(=O)c1sc2ncnc(N3CCC(COCCN4CCCC4)CC3)c2c1-c1ccccc1
InChIKey
POMPWIOBTTUCED-UHFFFAOYSA-N
Molecular formula
C26H32N4O3S
Average molar mass
480.6 g/mol

Names & identifiers

Preferred name
Methyl 5-phenyl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)-1-piperidyl]thieno[2,3-d]pyrimidine-6-carboxylate
IUPAC
methyl 5-phenyl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Names & synonyms

SCHEMBL14964983POMPWIOBTTUCED-UHFFFAOYSA-NMethyl 5-phenyl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)-1-piperidyl]thieno[2,3-d]pyrimidine-6-carboxylate

Database identifiers

PubChem CID
89579481

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
96 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

Experimental & physicochemical properties

Exact Mass480.21951207 Da
Molecular Weight480.6 g/mol
Monoisotopic Mass480.21951207 Da
Compound Is CanonicalizedYes

Related reactions

1 records
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Compound notes

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