CCOC(CCOC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N)OCC
الاسم: 5-[[3-(3,3-diethoxypropoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
SMILES: CCOC(CCOC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N)OCC

Molecular Processing

Molecular formula
C20H30N4O5
Molecular weight
406.48
Exact mass
406.2216
XLogP
2.42
TPSA
123.97
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.36

Supplementary Information

InChIKey: KSJLZNUXEKDEQP-UHFFFAOYSA-N
مرادفات
SCHEMBL10616687KSJLZNUXEKDEQP-UHFFFAOYSA-N2,4-Diamino-5-(3-(3,3-diethoxypropoxy)-4,5-dimethoxybenzyl)pyrimidine
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