1271389-49-1
1-(4-(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)-1,4-DIAZEPAN-1-YL)ETHANONE
Name1-(4-(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)-1,4-DIAZEPAN-1-YL)ETHANONE
1Identification
【Name】
1-(4-(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)-1,4-DIAZEPAN-1-YL)ETHANONE
【CAS】
【MDL】
MFCD17421299
【English Synonyms】
【Formula】
C11 H16 Cl N5 O
【MolWeight】
269.734
【Inchi】
InChI=1S/C11H16ClN5O/c1-8(18)16-3-2-4-17(6-5-16)11-9(13)10(12)14-7-15-11/h7H,2-6,13H2,1H3
【InChIKey】
InChIKey=BNDAEXNZIJLJAX-UHFFFAOYSA-N
【SMILES】
CC(=O)N1CCCN(CC1)c2c(c(ncn2)Cl)N
【MOL File】
1-(4-(5-AMINO-6-CHLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-(5-AMINO-6-CHLOROPYRIMIDIN-4-YL)-1,4-DIAZEPAN-1-YL)ETHANONE.cml