500227-01-0
6-CHLORO-N4-((1R,2R)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPYL)PYRIMIDINE-4,5-DIAMINE
Name6-CHLORO-N4-((1R,2R)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPYL)PYRIMIDINE-4,5-DIAMINE
1Identification
【Name】
6-CHLORO-N4-((1R,2R)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPYL)PYRIMIDINE-4,5-DIAMINE
【CAS】
【MDL】
MFCD22260713
【English Synonyms】
【Formula】
C12 H17 Cl N4 O2
【MolWeight】
284.745
【Inchi】
InChI=1S/C12H17ClN4O2/c13-11-10(14)12(16-6-15-11)17-7-5-8(7)19-9-3-1-2-4-18-9/h6-9H,1-5,14H2,(H,15,16,17)/t7-,8-,9?/m1/s1
【InChIKey】
InChIKey=TWDIOPBCUOLBBA-ZAZKALAHSA-N
【SMILES】
c1nc(c(c(n1)Cl)N)N[C@@H]2C[C@H]2OC3CCCCO3
【MOL File】
6-CHLORO-N4-((1R,2R)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-N4-((1R,2R)-2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPYL)PYRIMIDINE-4,5-DIAMINE.cml