Nombre: N-benzyl-5-chloro-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILES:
CC(C)C1=C2C(=NN1)C(=NC(=N2)Cl)NCC3=CC=CC=C3Molecular Processing
Molecular formula
C15H16ClN5
Molecular weight
301.78
Exact mass
301.1094
XLogP
3.74
TPSA
66.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
84.55
Supplementary Information
InChIKey: RQEYLZAZBHPIDB-UHFFFAOYSA-N
Sinónimos
SCHEMBL2904692SCHEMBL2904694RQEYLZAZBHPIDB-UHFFFAOYSA-N7-benzylamino-5-chloro-3-isopropylpyrazolo[4,3-d]pyrimidine
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