Home Halogens 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol

1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol

CAS No.:
1386832-48-9
Catalog Number:
AG01BFH7
Molecular Formula:
C9H13ClN4O
Molecular Weight:
228.6787
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Product Description
Catalog Number:
AG01BFH7
Chemical Name:
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CAS Number:
1386832-48-9
Molecular Formula:
C9H13ClN4O
Molecular Weight:
228.6787
MDL Number:
MFCD23715360
IUPAC Name:
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
InChI:
InChI=1S/C9H13ClN4O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(15)5-14/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChI Key:
ROCFIMCCBFEAAG-UHFFFAOYSA-N
SMILES:
OC1CCCN(C1)c1cc(Cl)nc(n1)N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.68g/mol
Monoisotopic Mass:
228.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties