5-Bromo-6-[2-(5-methylthiopyrimidin-2-yloxy)ethoxy]pyrimidine-4-amine

HCID 19689525

Notes Reactions

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Basic information

Standard SMILES: CSc1cnc(OCCOc2ncnc(N)c2Br)nc1
InChIKey: ZEYOKCRZKVAZLZ-UHFFFAOYSA-N
Molecular formula: C11H12BrN5O2S
Average molar mass: 358.22 g/mol

Names & identifiers

Preferred name: 5-Bromo-6-[2-(5-methylthiopyrimidin-2-yloxy)ethoxy]pyrimidine-4-amine
IUPAC: 5-bromo-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

Names & synonyms

SCHEMBL7537495ZEYOKCRZKVAZLZ-UHFFFAOYSA-N5-bromo-6-[2-(5-methylthiopyrimidin-2-yloxy)ethoxy]pyrimidine-4-amine5-bromo-6-[2-(5-methythiopyrimidin-2-yloxy)ethoxy]pyrimidine-4-amine

Database identifiers

PubChem CID: 19689525

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 284

Related reactions

5 records

New reaction record

HRID 2315As productuspto-grants-1998_03

HRID 2316As reactantuspto-grants-1998_03

HRID 671937As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1082311As productuspto-grants-1996_12

HRID 1082312As reactantuspto-grants-1996_12

Compound notes

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