2-(Isoxazol-5-yl)-4-(3,4-methylenedioxyphenethylamino)-5-methyl-thieno-[2,3-d]-pyrimidine

HCID 18460010
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Basic information

Standard SMILES
Cc1csc2nc(-c3ccno3)nc(NCCc3ccc4c(c3)OCO4)c12
InChIKey
JIZJRLUHZSPIQC-UHFFFAOYSA-N
Molecular formula
C19H16N4O3S
Average molar mass
380.4 g/mol

Names & identifiers

Preferred name
2-(Isoxazol-5-yl)-4-(3,4-methylenedioxyphenethylamino)-5-methyl-thieno-[2,3-d]-pyrimidine
IUPAC
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL5118575JIZJRLUHZSPIQC-UHFFFAOYSA-N2-(isoxazol-5-yl)-4-(3,4-methylenedioxyphenethylamino)-5-methyl-thieno-[2,3-d]-pyrimidine

Database identifiers

PubChem CID
18460010

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
27

Related reactions

5 records
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Compound notes

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