C1CC(CC(=O)C1)NC2=NC(=NC=C2F)Cl
Name: (3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-one
SMILES: C1CC(CC(=O)C1)NC2=NC(=NC=C2F)Cl

Molecular Processing

Molecular formula
C10H11ClFN3O
Molecular weight
243.67
Exact mass
243.0575
XLogP
2.19
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
57.89

Supplementary Information

InChIKey: LJRLRNXRNRPCJZ-LURJTMIESA-N
Synonyms
SCHEMBL2125031LJRLRNXRNRPCJZ-LURJTMIESA-N(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino) cyclohexanone(3 s)-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]cyclohexanone(3S)-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]cyclohexanone
View source →
Involved in 14 reactions→

Extended Search

Substructure Search→Similarity Search→