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Molecule record

8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

C25H28N8O2

472.55 g/mol

Loading structure

Molecular properties

Formula
C25H28N8O2
Molar mass
472.55 g·mol−1
Exact mass
472.2335 Da
16
PubChem CID
10096344

Functional groups

Alkane / alkyl carbon
Alkyne
Aromatic ring
Primary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (R)-8-(3-Amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
  • (R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
  • 1356, BI
  • 3X29ZEJ4R2
  • 668270-12-0
  • A10BH05
  • BI-1356
  • BI-1356-BS
Show all 24 synonyms
  • BI-1356BS
  • BI1356
  • BS 1356 BS
  • CHEBI:68610
  • DTXCID801506661
  • DTXSID201021653
  • GLYXAMBI COMPONENT LINAGLIPTIN
  • Linagliptin
  • Linagliptina
  • RefChem:5948
  • TRIJARDY XR COMPONENT LINAGLIPTIN
  • Tradjenta
  • Trajenta
  • Trazenta
  • linagliptine
  • linagliptinum

Structure identifiers

Canonical SMILES
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
Isomeric SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
InChI
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
InChIKey
LTXREWYXXSTFRX-QGZVFWFLSA-N
PubChem CID
10096344

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record