Details of the Drug

General Information of Drug (ID: DMFNEZW)

Drug Name

2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE

Synonyms

2-Anilino-6-cyclohexylmethoxypurine; 2-anilino-6-cyclohexylmethoxypurine; 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine; CHEMBL122264; 444722-80-9; 2A6; NU-6094; 1h1q; AC1L1BOU; SCHEMBL6791643; BDBM5530; CTK1D2421; DTXSID30274313; XWWRLKIBRPJQJX-UHFFFAOYSA-N; O6-Cyclohexylmethylguanine deriv 2; AKOS030619892; DB06948; N-Phenyl-6-(cyclohexylmethoxy)-9H-purine-2-amine; 6-(cyclohexylmethoxy)-N-phenyl-9H-purin-2-amine; 1H-Purin-2-amine,

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.4

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H21N5O
IUPAC Name: 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine
Canonical SMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=CC=C4
InChI: InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
InChIKey: XWWRLKIBRPJQJX-UHFFFAOYSA-N