786660-74-0
2-[1,4]DIAZEPAN-1-YL-6-METHYL-3H-PYRIMIDIN-4-ONE
Name2-[1,4]DIAZEPAN-1-YL-6-METHYL-3H-PYRIMIDIN-4-ONE
1Identification
【Name】
2-[1,4]DIAZEPAN-1-YL-6-METHYL-3H-PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD06009362
【English Synonyms】
【Formula】
C10 H16 N4 O
【MolWeight】
208.263
【Inchi】
InChI=1S/C10H16N4O/c1-8-7-9(15)13-10(12-8)14-5-2-3-11-4-6-14/h7,11H,2-6H2,1H3,(H,12,13,15)
【InChIKey】
InChIKey=CZZGTZUJBSXVLV-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)[nH]c(n1)N2CCCNCC2
【MOL File】
2-[1,4]DIAZEPAN-1-YL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[1,4]DIAZEPAN-1-YL-6-METHYL-3H-PYRIMIDIN-4-ONE.cml