7-Cyclopentyl-5-(4-Phenoxyphenyl)-7H-Pyrrolo[2,3-d]Pyrimidin-4-Amine
[CAS# 213743-31-8]

Identification

• Name: 7-Cyclopentyl-5-(4-Phenoxyphenyl)-7H-Pyrrolo[2,3-d]Pyrimidin-4-Amine
• Synonyms: "7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine"; 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[3,2-d]pyrimidin-7-yl-cyclopentane; 7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
• Molecular Formula: C₂₃H₂₂N₄O
• Molecular Weight: 370.45
• CAS Registry Number: 213743-31-8
• SMILES: C1CCC(C1)N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5
• InChI: 1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
• InChIKey: FMETVQKSDIOGPX-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 605.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 319.7±31.5°C (Cal.)
• Refractive index: 1.696 (Cal.)

References

• (1): Z. Banic Tomisic, A. Cempuh and I. Malnar. 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine, an lck tyrosine kinase inhibitor, Acta Cryst. (2001). E57, o511-o513