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1159820-98-0 | 4-Pyrimidinamine, 6-(1-piperazinyl)-
CAS No: 1159820-98-0 Catalog No: AG000HAA MDL No:MFCD12033531
Product Description
Catalog Number:
AG000HAA
Chemical Name:
4-Pyrimidinamine, 6-(1-piperazinyl)-
CAS Number:
1159820-98-0
Molecular Formula:
C8H13N5
Molecular Weight:
179.2223
MDL Number:
MFCD12033531
IUPAC Name:
6-piperazin-1-ylpyrimidin-4-amine
InChI:
InChI=1S/C8H13N5/c9-7-5-8(12-6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2,(H2,9,11,12)
InChI Key:
DQBVQFUYRYISFB-UHFFFAOYSA-N
SMILES:
Nc1ncnc(c1)N1CCNCC1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.227g/mol
Monoisotopic Mass:
179.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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