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832735-45-2

832735-45-2 | Pyrimidine, 5-bromo-2-[(1-cyclopentyl-4-piperidinyl)oxy]-

CAS No: 832735-45-2 Catalog No: AG0055XJ MDL No:

Product Description

Catalog Number:
AG0055XJ
Chemical Name:
Pyrimidine, 5-bromo-2-[(1-cyclopentyl-4-piperidinyl)oxy]-
CAS Number:
832735-45-2
Molecular Formula:
C14H20BrN3O
Molecular Weight:
326.2321
IUPAC Name:
5-bromo-2-(1-cyclopentylpiperidin-4-yl)oxypyrimidine
InChI:
InChI=1S/C14H20BrN3O/c15-11-9-16-14(17-10-11)19-13-5-7-18(8-6-13)12-3-1-2-4-12/h9-10,12-13H,1-8H2
InChI Key:
BOAWHMCRQKZVJU-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)OC1CCN(CC1)C1CCCC1

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.238g/mol
Monoisotopic Mass:
325.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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