Home Halogens 2-[(6-chloropyrimidin-4-yl)amino]butan-1-ol

2-[(6-chloropyrimidin-4-yl)amino]butan-1-ol

CAS No.:
446273-79-6
Catalog Number:
AG019TIU
Molecular Formula:
C8H12ClN3O
Molecular Weight:
201.6534
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Product Description
Catalog Number:
AG019TIU
Chemical Name:
2-[(6-chloropyrimidin-4-yl)amino]butan-1-ol
CAS Number:
446273-79-6
Molecular Formula:
C8H12ClN3O
Molecular Weight:
201.6534
MDL Number:
MFCD14587671
IUPAC Name:
2-[(6-chloropyrimidin-4-yl)amino]butan-1-ol
InChI:
InChI=1S/C8H12ClN3O/c1-2-6(4-13)12-8-3-7(9)10-5-11-8/h3,5-6,13H,2,4H2,1H3,(H,10,11,12)
InChI Key:
WBXFQBNDKIIBBE-UHFFFAOYSA-N
SMILES:
CCC(Nc1ncnc(c1)Cl)CO
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.654g/mol
Monoisotopic Mass:
201.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties