chempirical

3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine

C15H15N7OCAS 1224844-38-5309.33 g/mol

Open in Covalent MOL file
NNOHNHNH2NNN
Primary amine

Properties

Molecular formula
C15H15N7O
Molar mass
309.33 g/mol
Exact mass
309.1338 Da
logP
2.21Crippen estimate
Polar surface area
122.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Identifiers

CAS number
1224844-38-5
SMILES
CC(C)n1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(N)ncnc21
InChIKey
GYLDXIAOMVERTK-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-
  • INK 128
  • MLN 0128
  • Sapanisertib
  • TAK 228

Work with 3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Torkinib1092351-67-150 % similar 1-Cyclopentyl-3-(1H-pyrrolo[2,3-B]pyridin-5-yl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine1092788-83-439 % similar Zoxazolamine61-80-334 % similar Ibrutinib936563-96-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook