Name: 2-[[6-amino-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]amino]propan-1-ol
SMILES:
CC(CO)NC1=NC(=NC(=C1)N)SCC2=CC=CC=C2FMolecular Processing
Molecular formula
C14H17FN4OS
Molecular weight
308.38
Exact mass
308.1107
XLogP
2.28
TPSA
84.06
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
82.58
Supplementary Information
InChIKey: GDTREHIOQWBWJN-UHFFFAOYSA-N
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