1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine | CAS No. 172889-27-9

1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Basic Information

CAS Number

172889-27-9

Molecular Formula

C15H16ClN5

Molecular Weight

301.78 g/mol

AD

Basic Physical Properties

Boiling Point

493.5℃/760mmHg

Solubility

Insuluble (4.2E-3 g/L) (25 ºC),

CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)

InChIKey

PBBRWFOVCUAONR-UHFFFAOYSA-N

LogP

3.483900000000002

Topological Polar Surface Area

69.62 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

364

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • IDI1_002154
  • 11L-313S
  • HMS3652L14
  • PP2 - CAS 172889-27-9
  • 3-(4-chlorophenyl)1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
  • HMS3676O04
  • HMS1362H19
  • PP2(AGL 1879)
  • NCGC00163385-01
  • PP 2
  • SCHEMBL375322
  • cid_4878
  • PK8JPC58XB
  • HMS1990H19
  • FT-0711433
  • HMS3747M11
  • CS-1663
  • NCGC00163385-14
  • 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
  • ksc-8-108
  • HMS3412O04
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)- (9CI)
  • 1qpe
  • HMS3403H19
  • BRD-K95785537-001-03-3
  • PP2 (AG 1879)
  • 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1h-pyrazolo(3,4-d)pyrimidin-4-amine
  • BiomolKI2_000058
  • 1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[3,4-d]pyrimidine
  • KUC104577N
  • AG-1879

MDL Number

MFCD01568210

Customs Code

2933990090

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