Name: [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
SMILES:
CC1CCCN(C1CN)C(=O)C2=C(C=CC(=C2)C)C3=NC=CC=N3Molecular Processing
Molecular formula
C19H24N4O
Molecular weight
324.43
Exact mass
324.195
XLogP
2.65
TPSA
72.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
94.48
Supplementary Information
InChIKey: VJSDCNBTXLFVGR-RHSMWYFYSA-N
Synonyme
SCHEMBL16277328VJSDCNBTXLFVGR-RHSMWYFYSA-N((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(pyrimidin-2-yl)phenyl)methanone
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