Name: 4-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine;hydrochloride
SMILES:
CN1CCN(c2cc(-c3ccc4c(c3)CNCC4)nc(N)n2)CC1.ClMolecular Processing
Molecular formula
C18H25ClN6
Molecular weight
360.89
Exact mass
360.1829
XLogP
1.55
TPSA
70.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
104.25
Supplementary Information
InChIKey: VVEKXSYGDXTVGP-UHFFFAOYSA-N
Synonyme
SCHEMBL2804265VVEKXSYGDXTVGP-UHFFFAOYSA-N4-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt
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