Name: N-allyl-2-chloro-7-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILES:
C=CCNc1nc(Cl)nc2c1CCC2(C)c1ccc(F)cc1Molecular Processing
Molecular formula
C17H17ClFN3
Molecular weight
317.79
Exact mass
317.1095
XLogP
4.12
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
86.9
Supplementary Information
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