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101259-25-0 | 7(8H)-Pteridinone, 2-(ethylamino)-
CAS No: 101259-25-0 Catalog No: AG00042Y MDL No:
Product Description
Catalog Number:
AG00042Y
Chemical Name:
7(8H)-Pteridinone, 2-(ethylamino)-
CAS Number:
101259-25-0
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
IUPAC Name:
2-(ethylamino)-8H-pteridin-7-one
InChI:
InChI=1S/C8H9N5O/c1-2-9-8-11-3-5-7(13-8)12-6(14)4-10-5/h3-4H,2H2,1H3,(H2,9,11,12,13,14)
InChI Key:
JXTPXGRHCHQGGE-UHFFFAOYSA-N
SMILES:
CCNc1nc2[nH]c(=O)cnc2cn1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.194g/mol
Monoisotopic Mass:
191.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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