CC1CC2=C(CN1C3=NC(=NC(=C3)N4CCN(CC4)C)N)C=C(C=C2)Br
Nombre: 4-(7-bromo-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILES: CC1CC2=C(CN1C3=NC(=NC(=C3)N4CCN(CC4)C)N)C=C(C=C2)Br

Molecular Processing

Molecular formula
C19H25BrN6
Molecular weight
417.36
Exact mass
416.1324
XLogP
2.52
TPSA
61.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
109.65

Supplementary Information

InChIKey: RCRBCSZFWUNILL-UHFFFAOYSA-N
Sinónimos
SCHEMBL2491430RCRBCSZFWUNILL-UHFFFAOYSA-N4-(7-bromo-3-methyl-3,4-dihydro isoquinolin-2(1H)-yl)-6-(4-methyl piperazin-1-yl)pyrimidin-2-amine4-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2 (1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-y 1)pyrimidin-2-amine4-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
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