C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CNC4=NC=NC(=C34)N
Nombre: 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CNC4=NC=NC(=C34)N

Molecular Processing

Molecular formula
C18H14N4O
Molecular weight
302.34
Exact mass
302.1168
XLogP
4
TPSA
76.82
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
90.25

Supplementary Information

InChIKey: NFSWHYRUVWRUDN-UHFFFAOYSA-N
Sinónimos
5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineSCHEMBL410257SCHEMBL29552165NFSWHYRUVWRUDN-UHFFFAOYSA-N4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine5-(4-Phenoxyphenyl)-7H-pyrrolo[2,3-d]-pyrimidin-4-ylamine
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