945896-97-9
6-(6-CHLORO-PYRIMIDIN-4-YL)-2-METHYL-4A,5,6,7,8,8A-HEXAHYDRO-PYRIDO[4,3-D]PYRIMIDINE
Name6-(6-CHLORO-PYRIMIDIN-4-YL)-2-METHYL-4A,5,6,7,8,8A-HEXAHYDRO-PYRIDO[4,3-D]PYRIMIDINE
1Identification
【Name】
6-(6-CHLORO-PYRIMIDIN-4-YL)-2-METHYL-4A,5,6,7,8,8A-HEXAHYDRO-PYRIDO[4,3-D]PYRIMIDINE
【CAS】
【MDL】
MFCD09757020
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H14 Cl N5
【pro_molWeight】
263.731
【Inchi】
InChI=1S/C12H14ClN5/c1-8-14-5-9-6-18(3-2-10(9)17-8)12-4-11(13)15-7-16-12/h4-5,7,9-10H,2-3,6H2,1H3
【InChIKey】
InChIKey=ZLZFUXJAHOBZFT-UHFFFAOYSA-N
【SMILES】
CC1=NC2CCN(CC2C=N1)c3cc(ncn3)Cl
【MOL File】
6-(6-CHLORO-PYRIMIDI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
6-(6-CHLORO-PYRIMIDIN-4-YL)-2-METHYL-4A,5,6,7,8,8A-HEXAHYDRO-PYRIDO[4,3-D]PYRIMIDINE.cml