Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BM2

Summary
Name:(4S)-2-tert-butylimidazo[1,2-a]pyrimidine
Formula:C10 H13 N3
Formal charge:0
Formula weight:175.23 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(4S)-2-tert-butylimidazo[1,2-a]pyrimidine
OpenEye OEToolkits3.1.0.02-~{tert}-butylimidazo[1,2-a]pyrimidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(C)(C)c1cn2cccnc2n1
InChIInChI1.06InChI=1S/C10H13N3/c1-10(2,3)8-7-13-6-4-5-11-9(13)12-8/h4-7H,1-3H3
InChIKeyInChI1.06QCKNMBVCXLZFHY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1cn2cccnc2n1
SMILESCACTVS3.385CC(C)(C)c1cn2cccnc2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C)c1cn2cccnc2n1
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C)c1cn2cccnc2n1

249697

PDB entries from 2026-02-25

PDB statisticsPDBj update infoContact PDBjnumon