Methyl-4-(4-fluoro-2-((tetrahydro-2-H-pyran-4-yl)methoxy)phenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

HCID 58413397
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Basic information

Standard SMILES
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c2c1C
InChIKey
OVSFSBRKPMYDHC-UHFFFAOYSA-N
Molecular formula
C21H22FN3O4S
Average molar mass
431.5 g/mol

Names & identifiers

Preferred name
Methyl-4-(4-fluoro-2-((tetrahydro-2-H-pyran-4-yl)methoxy)phenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
IUPAC
methyl 4-[4-fluoro-2-(oxan-4-ylmethoxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Names & synonyms

SCHEMBL12275007OVSFSBRKPMYDHC-UHFFFAOYSA-NMethyl-4-(4-fluoro-2-((tetrahydro-2-H-pyran-4-yl)methoxy)phenylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylateMethyl-4-(4-fluoro-2-((tetrahydro-2-H-pyran-4-yl)methoxy)phenylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Database identifiers

PubChem CID
58413397

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
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Compound notes

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