Basic information
- CAS
444722-81-0- Standard SMILES
Clc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1- InChIKey
OUEGMEMDEAOAEG-UHFFFAOYSA-N- Molecular formula
- C18H20ClN5O
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.135638
Names & identifiers
- Preferred name
- 6-Cyclohexylmethoxy-2-(3'-chloroanilino) purine
- IUPAC
- N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
Names & synonyms
6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINEN-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine444722-81-0DTXSID10274437RefChem:104476DTXCID80225916N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amineO6-Cyclohexylmethylguanine deriv. 151h1r7ZB2ZT8JKMBDBM5531CHEMBL341273
Show more names
SCHEMBL6790651SCHEMBL7113916SCHEMBL31060117DB072036CPPD005462NS000692742-(3 -Chloroanilino)-6-cyclohexylmethoxypurine
Database identifiers
- CAS
444722-81-0- PubChem CID
- 4565
- DTXSID
DTXSID10274437- ChEMBL
CHEMBL341273- UNII
- 7ZB2ZT8JKM
- Nikkaji
- J1.983.933H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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