CCC1=C(C(=NC(=N1)N)N)OCCCOC2=C3C=C(C=CC3=NC=C2)F
Name: 6-ethyl-5-[3-(6-fluoroquinolin-4-yl)oxypropoxy]pyrimidine-2,4-diamine
SMILES: CCC1=C(C(=NC(=N1)N)N)OCCCOC2=C3C=C(C=CC3=NC=C2)F

Molecular Processing

Molecular formula
C18H20FN5O2
Molecular weight
357.39
Exact mass
357.1601
XLogP
2.74
TPSA
109.17
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
97.54

Supplementary Information

InChIKey: FNNDLIDZIPMLHG-UHFFFAOYSA-N
Synonyme
SCHEMBL3266923FNNDLIDZIPMLHG-UHFFFAOYSA-N2,4-diamino-6-ethyl-5-(3-(6-fluoroquinolin-4-yloxy)propoxy)pyrimidine
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