Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1PRQ

Summary
Name:1-{[(5P)-5-(3-chloropyridin-2-yl)pyrimidin-4-yl]amino}-5,5-dimethylpyrrolidin-2-one
Formula:C15 H16 Cl N5 O
Formal charge:0
Formula weight:317.773 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-{[(5P)-5-(3-chloropyridin-2-yl)pyrimidin-4-yl]amino}-5,5-dimethylpyrrolidin-2-one
OpenEye OEToolkits3.1.0.01-[[5-(3-chloranylpyridin-2-yl)pyrimidin-4-yl]amino]-5,5-dimethyl-pyrrolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cccnc1c1cncnc1NN1C(=O)CCC1(C)C
InChIInChI1.06InChI=1S/C15H16ClN5O/c1-15(2)6-5-12(22)21(15)20-14-10(8-17-9-19-14)13-11(16)4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19,20)
InChIKeyInChI1.06VNEOOINUZPJISZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1(C)CCC(=O)N1Nc2ncncc2c3ncccc3Cl
SMILESCACTVS3.385CC1(C)CCC(=O)N1Nc2ncncc2c3ncccc3Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC1(CCC(=O)N1Nc2c(cncn2)c3c(cccn3)Cl)C
SMILESOpenEye OEToolkits3.1.0.0CC1(CCC(=O)N1Nc2c(cncn2)c3c(cccn3)Cl)C

262513

PDB entries from 2026-11-04

PDB statisticsPDBj update infoContact PDBjnumon