945895-97-6
TERT-BUTYL 3-[(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)AMINO]PYRROLIDINE-1-CARBOXYLATE
NameTERT-BUTYL 3-[(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)AMINO]PYRROLIDINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 3-[(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)AMINO]PYRROLIDINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD09756786
【English Synonyms】
【Formula】
C13 H20 Cl N5 O2
【MolWeight】
313.787
【Inchi】
InChI=1S/C13H20ClN5O2/c1-13(2,3)21-12(20)19-5-4-8(6-19)18-11-9(15)10(14)16-7-17-11/h7-8H,4-6,15H2,1-3H3,(H,16,17,18)
【InChIKey】
InChIKey=ZBTGYEWRDOFBRR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(C1)Nc2c(c(ncn2)Cl)N
【MOL File】
TERT-BUTYL 3-[(5-AMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 3-[(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)AMINO]PYRROLIDINE-1-CARBOXYLATE.cml