(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine (Q27461893)

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₀FN₅

1 reference

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

19 October 2016

canonical SMILES

C1C(C1NCCC2=NC(=NC=C2)N3C=CN=C3)CC4=CC(=CC=C4)F

1 reference

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

19 October 2016

isomeric SMILES

C1[C@@H]([C@H]1NCCC2=NC(=NC=C2)N3C=CN=C3)CC4=CC(=CC=C4)F

1 reference

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

CYEVFFVOLRMDHH-YJBOKZPZSA-N

19 October 2016

InChIKey

1 reference

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

19 October 2016

1 reference

(1S,2S)-2-(3-Fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}cyclopropanamine (English)

19 October 2016

2 references

(1s,2s)-2-(3-Fluorobenzyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl} Cyclopropanamine (English)

matched by identifier from

19 October 2016

InChIKey

CYEVFFVOLRMDHH-YJBOKZPZSA-N

1 reference

CHEMBL3547162 (English)

19 October 2016

1 reference

0 references

1 reference

4D2Z (English)