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24957-88-8 | 4-Pyrimidinamine, 6-(4-morpholinyl)-5-nitro-
CAS No: 24957-88-8 Catalog No: AG002PZI MDL No:
Product Description
Catalog Number:
AG002PZI
Chemical Name:
4-Pyrimidinamine, 6-(4-morpholinyl)-5-nitro-
CAS Number:
24957-88-8
Molecular Formula:
C8H11N5O3
Molecular Weight:
225.2046
IUPAC Name:
6-morpholin-4-yl-5-nitropyrimidin-4-amine
InChI:
InChI=1S/C8H11N5O3/c9-7-6(13(14)15)8(11-5-10-7)12-1-3-16-4-2-12/h5H,1-4H2,(H2,9,10,11)
InChI Key:
SWKWFVUPJOATMR-UHFFFAOYSA-N
SMILES:
Nc1ncnc(c1[N+](=O)[O-])N1CCOCC1
NSC Number:
39846
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.208g/mol
Monoisotopic Mass:
225.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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