575484-83-2
6-(2-CHLORO-5-FLUOROPYRIMIDIN-4-YLAMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
Name6-(2-CHLORO-5-FLUOROPYRIMIDIN-4-YLAMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
FormulaC13 H11 Cl F N5 O2
1Identification
【Name】
6-(2-CHLORO-5-FLUOROPYRIMIDIN-4-YLAMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
【CAS】
【MDL】
MFCD13182364
【English Synonyms】
【Formula】
C13 H11 Cl F N5 O2
【MolWeight】
323.714
【Inchi】
InChI=1S/C13H11ClFN5O2/c1-13(2)11(21)19-10-7(22-13)3-4-8(18-10)17-9-6(15)5-16-12(14)20-9/h3-5H,1-2H3,(H2,16,17,18,19,20,21)
【InChIKey】
InChIKey=IBQYILNHUAYCHB-UHFFFAOYSA-N
【SMILES】
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Cl)F)O1)C
【MOL File】
6-(2-CHLORO-5-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(2-CHLORO-5-FLUOROPYRIMIDIN-4-YLAMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE.cml