CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCl)C3CCC3
Name: 2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-cyclobutylpyrimidine
SMILES: CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCl)C3CCC3

Molecular Processing

Molecular formula
C19H31ClN4
Molecular weight
350.94
Exact mass
350.2237
XLogP
3.79
TPSA
32.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
101.31

Supplementary Information

InChIKey: OSQZGYDKHRKUAD-UHFFFAOYSA-N
Synonyme
SCHEMBL387135OSQZGYDKHRKUAD-UHFFFAOYSA-N2-tert-Butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-cyclobutyl-pyrimidine
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