CC1CCCC(N1C2=C(C(=NC=N2)Cl)F)C
الاسم: 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine
SMILES: CC1CCCC(N1C2=C(C(=NC=N2)Cl)F)C

Molecular Processing

Molecular formula
C11H15ClFN3
Molecular weight
243.71
Exact mass
243.0939
XLogP
3.04
TPSA
29.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
62.25

Supplementary Information

InChIKey: FEVZPPBNLNVRPH-OCAPTIKFSA-N
مرادفات
SCHEMBL82727FEVZPPBNLNVRPH-OCAPTIKFSA-N4-chloro-6-(cis-2,6-dimethylpiperidino)-5-fluoropyrimidine6-chloro-4-(cis-2,6-dimethylpiperidino)-5-fluoropyrimidine
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