4-[2-(5-Chlorothieno[2,3-d]pyrimidin-4-ylamino)ethyl]-2-methoxyphenol

HCID 68856980

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(CCNc2ncnc3scc(Cl)c23)ccc1O
InChIKey: XHYMGTFJLDCVBI-UHFFFAOYSA-N
Molecular formula: C15H14ClN3O2S
Average molar mass: 335.8 g/mol

Names & identifiers

Preferred name: 4-[2-(5-Chlorothieno[2,3-d]pyrimidin-4-ylamino)ethyl]-2-methoxyphenol
IUPAC: 4-[2-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-methoxyphenol

Names & synonyms

SCHEMBL3964260XHYMGTFJLDCVBI-UHFFFAOYSA-N4-[2-(5-Chlorothieno[2,3-d]pyrimidin-4-ylamino)ethyl]-2-methoxyphenol4-{2-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]ethyl}-2-methoxyphenol

Database identifiers

PubChem CID: 68856980

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 95.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 366

Related reactions

4 records

New reaction record

HRID 491264As reactantuspto-grants-2009_05

HRID 491266As productuspto-grants-2009_05

HRID 1563854As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2161473As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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