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122324-16-7 | 4,6-Pyrimidinediamine, 2-(4-morpholinyl)-
CAS No: 122324-16-7 Catalog No: AG00173P MDL No:MFCD09438668
Product Description
Catalog Number:
AG00173P
Chemical Name:
4,6-Pyrimidinediamine, 2-(4-morpholinyl)-
CAS Number:
122324-16-7
Molecular Formula:
C8H13N5O
Molecular Weight:
195.2217
MDL Number:
MFCD09438668
IUPAC Name:
2-morpholin-4-ylpyrimidine-4,6-diamine
InChI:
InChI=1S/C8H13N5O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
InChI Key:
LFNINLGZOWXWNB-UHFFFAOYSA-N
SMILES:
Nc1nc(nc(c1)N)N1CCOCC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.226g/mol
Monoisotopic Mass:
195.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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