이름: 4-chloro-6-(2-hydroxy-ethylamino)-2-[(pyridin-3-ylmethyl)-amino]-pyrimidine-5-carbonitrile
SMILES:
N#Cc1c(Cl)nc(NCc2cccnc2)nc1NCCOMolecular Processing
Molecular formula
C13H13ClN6O
Molecular weight
304.74
Exact mass
304.0839
XLogP
1.41
TPSA
106.75
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
78.9
Supplementary Information
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