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124732-29-2 | 4-Pyrimidinamine, 2-(4-methyl-1-piperazinyl)-5-nitro-
CAS No: 124732-29-2 Catalog No: AG000MO3 MDL No:
Product Description
Catalog Number:
AG000MO3
Chemical Name:
4-Pyrimidinamine, 2-(4-methyl-1-piperazinyl)-5-nitro-
CAS Number:
124732-29-2
Molecular Formula:
C9H14N6O2
Molecular Weight:
238.2465
IUPAC Name:
2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
InChI:
InChI=1S/C9H14N6O2/c1-13-2-4-14(5-3-13)9-11-6-7(15(16)17)8(10)12-9/h6H,2-5H2,1H3,(H2,10,11,12)
InChI Key:
XDMCGIKCFBFDIW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ncc(c(n1)N)[N+](=O)[O-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.251g/mol
Monoisotopic Mass:
238.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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