CC1=CC(=NN1)NC23C(=NC=N2)C=NC(=N3)Cl
Name: 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)purin-4-amine
SMILES: CC1=CC(=NN1)NC23C(=NC=N2)C=NC(=N3)Cl

Molecular Processing

Molecular formula
C9H8ClN7
Molecular weight
249.67
Exact mass
249.053
XLogP
0.95
TPSA
90.15
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
67.39

Supplementary Information

InChIKey: OIFKUXLEOJPHAT-UHFFFAOYSA-N
Synonyms
SCHEMBL785662OIFKUXLEOJPHAT-UHFFFAOYSA-N(2-chloro-purin-4-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
View source →
Involved in 29 reactions→

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