956718-90-4
CYCLOHEXANOL, 4-[[4-[5-(DIMETHYLAMINO)-1-(PHENYLMETHYL)-1H-PYRAZOL-4-YL]-2-PYRIMIDINYL]AMINO]-, TRANS-
NameCYCLOHEXANOL, 4-[[4-[5-(DIMETHYLAMINO)-1-(PHENYLMETHYL)-1H-PYRAZOL-4-YL]-2-PYRIMIDINYL]AMINO]-, TRANS-
1Identification
【Name】
CYCLOHEXANOL, 4-[[4-[5-(DIMETHYLAMINO)-1-(PHENYLMETHYL)-1H-PYRAZOL-4-YL]-2-PYRIMIDINYL]AMINO]-, TRANS-
【CAS】
【MDL】
MFCD18207799
【English Synonyms】
【Formula】
C22 H28 N6 O
【MolWeight】
392.504
【Inchi】
InChI=1S/C22H28N6O/c1-27(2)21-19(14-24-28(21)15-16-6-4-3-5-7-16)20-12-13-23-22(26-20)25-17-8-10-18(29)11-9-17/h3-7,12-14,17-18,29H,8-11,15H2,1-2H3,(H,23,25,26)/t17-,18-
【InChIKey】
InChIKey=SZNPQONVZOSPLO-IYARVYRRSA-N
【SMILES】
CN(C)c1c(cnn1Cc2ccccc2)c3ccnc(n3)N[C@H]4CC[C@@H](CC4)O
【MOL File】
CYCLOHEXANOL, 4-[[4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOHEXANOL, 4-[[4-[5-(DIMETHYLAMINO)-1-(PHENYLMETHYL)-1H-PYRAZOL-4-YL]-2-PYRIMIDINYL]AMINO]-, TRANS-.cml