943122-71-2
2-(4-(PIPERAZIN-1-YL)PHENYLAMINO)-N-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL)PYRIMIDINE-4-CARBOXAMIDE
Name2-(4-(PIPERAZIN-1-YL)PHENYLAMINO)-N-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL)PYRIMIDINE-4-CARBOXAMIDE
1Identification
【Name】
2-(4-(PIPERAZIN-1-YL)PHENYLAMINO)-N-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL)PYRIMIDINE-4-CARBOXAMIDE
【CAS】
【MDL】
MFCD11977698
【English Synonyms】
【Formula】
C25 H34 N6 O
【MolWeight】
434.585
【Inchi】
InChI=1S/C25H34N6O/c1-24(2)17-8-10-25(24,3)21(16-17)30-22(32)20-9-11-27-23(29-20)28-18-4-6-19(7-5-18)31-14-12-26-13-15-31/h4-7,9,11,17,21,26H,8,10,12-16H2,1-3H3,(H,30,32)(H,27,28,29)/t17-,21?,25+/m0/s1
【InChIKey】
InChIKey=PLNURDNYDNZIPL-QGTFFEQLSA-N
【SMILES】
CC1([C@H]2CC[C@@]1(C(C2)NC(=O)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5)C)C
【MOL File】
2-(4-(PIPERAZIN-1-YL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-(PIPERAZIN-1-YL)PHENYLAMINO)-N-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL)PYRIMIDINE-4-CARBOXAMIDE.cml