741713-40-6
[4-AMINO-2-[(1-METHYLSULFONYLPIPERIDIN-4-YL)AMINO]PYRIMIDIN-5-YL](2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE
Name[4-AMINO-2-[(1-METHYLSULFONYLPIPERIDIN-4-YL)AMINO]PYRIMIDIN-5-YL](2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE
FormulaC18 H21 F2 N5 O4 S
1Identification
【Name】
[4-AMINO-2-[(1-METHYLSULFONYLPIPERIDIN-4-YL)AMINO]PYRIMIDIN-5-YL](2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE
【CAS】
【MDL】
MFCD09970629
【English Synonyms】
【Formula】
C18 H21 F2 N5 O4 S
【MolWeight】
441.457
【Inchi】
InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
【InChIKey】
InChIKey=JRNJNYBQQYBCLE-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
【MOL File】
[4-AMINO-2-[(1-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[4-AMINO-2-[(1-METHYLSULFONYLPIPERIDIN-4-YL)AMINO]PYRIMIDIN-5-YL](2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE.cml