CC1=C(C(=NC(=N1)OCC(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)C)N
CAS: 1080650-67-4
Name: 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-(1-benzylpiperidin-4-yl)-N-methylacetamide
SMILES: CC1=C(C(=NC(=N1)OCC(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)C)N

Molecular Processing

Molecular formula
C21H29N5O2
Molecular weight
383.5
Exact mass
383.2321
XLogP
2.18
TPSA
84.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
108.92

Supplementary Information

InChIKey: UFFJZHVXSNLCEE-UHFFFAOYSA-N
Synonyme
SUN138371080650-67-42-(5-amino-4,6-dimethylpyrimidine-2-yloxy)-N-(1-benzylpiperidine-4-yl)-N-methylacetamideorb1688370SCHEMBL2850149CHEMBL4561879UFFJZHVXSNLCEE-UHFFFAOYSA-NGLXC-22443DA-58196HY-147681CS-0514463T616662-((5-Amino-4,6-dimethylpyrimidin-2-yl)oxy)-N-(1-benzylpiperidin-4-yl)-N-methylacetamide
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