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1269291-43-1 | 2-Pyrimidinamine, 4-bromo-N-cyclopentyl-
CAS No: 1269291-43-1 Catalog No: AG000THX MDL No:MFCD18782885
Product Description
Catalog Number:
AG000THX
Chemical Name:
2-Pyrimidinamine, 4-bromo-N-cyclopentyl-
CAS Number:
1269291-43-1
Molecular Formula:
C9H12BrN3
Molecular Weight:
242.1157
MDL Number:
MFCD18782885
IUPAC Name:
4-bromo-N-cyclopentylpyrimidin-2-amine
InChI:
InChI=1S/C9H12BrN3/c10-8-5-6-11-9(13-8)12-7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,13)
InChI Key:
KRYKNKFLOGYGRL-UHFFFAOYSA-N
SMILES:
Brc1ccnc(n1)NC1CCCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.12g/mol
Monoisotopic Mass:
241.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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