Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](CN2CCC2)C1
Name: cis-7-(3-azetidin-1-ylmethylcyclobutyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
SMILES: Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](CN2CCC2)C1

Molecular Processing

Molecular formula
C14H18IN5
Molecular weight
383.24
Exact mass
383.0607
XLogP
2.27
TPSA
59.97
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
87.48

Supplementary Information

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