2-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetate

HCID 387666

Completing data — usually done within a minute

Basic information

CAS
59277-99-5
Standard SMILES
CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21
InChIKey
WDWFTRKUESNIEQ-UHFFFAOYSA-N
Molecular formula
C10H10Cl2N4O3
Average molar mass
305.11 g/mol
Monoisotopic mass
304.01299554

Names & identifiers

Preferred name
2-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetate
IUPAC
2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate

Names & synonyms

59277-99-52-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetateNSC6816922-[(2,6-dichloro-9h-purin-9-yl)methoxy]ethyl acetate2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate2,6-dichloro-9-(2-acetyloxyethoxymethyl)purineCHEMBL38170SCHEMBL11244724DTXSID80207994WDWFTRKUESNIEQ-UHFFFAOYSA-NNSC-681692NCI60_029185

Database identifiers

CAS
59277-99-5
PubChem CID
387666
DTXSID
DTXSID80207994
ChEMBL
CHEMBL38170
Nikkaji
J2.346.954E

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
79.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
19

Related reactions

5 records

Compound notes

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