939986-76-2
4-(6-CHLORO-PYRIMIDIN-4-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(6-CHLORO-PYRIMIDIN-4-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(6-CHLORO-PYRIMIDIN-4-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607841
【English Synonyms】
【Formula】
C14 H21 Cl N4 O2
【MolWeight】
312.799
【Inchi】
InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)18-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,16,17,18)
【InChIKey】
InChIKey=XLZGMUJBIFJFDO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)Nc2cc(ncn2)Cl
【MOL File】
4-(6-CHLORO-PYRIMIDI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(6-CHLORO-PYRIMIDIN-4-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml