519056-64-5
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
Name
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
Formula
C14 H12 F3 N3 O2
MolWeight
311.262
1Identification
【Name】
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
【CAS】
【MDL】
MFCD02678169
【English Synonyms】
【Formula】
C14 H12 F3 N3 O2
【MolWeight】
311.262
【Inchi】
InChI=1S/C14H12F3N3O2/c15-14(16,17)12-7-9(19-13(18)20-12)8-2-3-10-11(6-8)22-5-1-4-21-10/h2-3,6-7H,1,4-5H2,(H2,18,19,20)
【InChIKey】
InChIKey=NISKCTNAMXUPLM-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1c3cc(nc(n3)N)C(F)(F)F)OCCCO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE.cml
Quick Release
1-([2-(DIETHYLAMINO)ETHYL]CARBAMOYL)CYCLOBUTANE-1-CARBOXYLIC ACID
1-[(2-PHENYLETHYL)CARBAMOYL]CYCLOBUTANE-1-CARBOXYLIC ACID
1-[(3,4-DIMETHYLPHENYL)CARBAMOYL]CYCLOBUTANE-1-CARBOXYLIC ACID
4-AMINO-N-(5-CHLORO-2-METHYLPHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
4-AMINO-5-METHYL-N-(3-METHYLPYRIDIN-2-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
4-AMINO-5-METHYL-N-(4-METHYLPYRIDIN-2-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
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