C1=CC(=CC=C1NC2=NC(=NC3=C2NC=N3)Cl)F
Name: 2-chloro-N-(4-fluorophenyl)-7H-purin-6-amine
SMILES: C1=CC(=CC=C1NC2=NC(=NC3=C2NC=N3)Cl)F

Molecular Processing

Molecular formula
C11H7ClFN5
Molecular weight
263.66
Exact mass
263.0374
XLogP
2.89
TPSA
66.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
66.38

Supplementary Information

InChIKey: YSOJRPRNKAJZBA-UHFFFAOYSA-N
Synonyms
CHEMBL5054182-chloro-6-(4-fluoro-phenyl-amino)-purineSCHEMBL5840442SCHEMBL5840446YSOJRPRNKAJZBA-UHFFFAOYSA-NBDBM502745042-chloro-N-(4-fluorophenyl)-9H-purin-6-amine
View source →
Involved in 2 reactions→

Extended Search

Substructure Search→Similarity Search→