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89157-13-1 | 4(1H)-Pteridinone, 2-amino-6-ethyl-7,8-dihydro-7-methyl-
CAS No: 89157-13-1 Catalog No: AG003WYJ MDL No:
Product Description
Catalog Number:
AG003WYJ
Chemical Name:
4(1H)-Pteridinone, 2-amino-6-ethyl-7,8-dihydro-7-methyl-
CAS Number:
89157-13-1
Molecular Formula:
C9H13N5O
Molecular Weight:
207.2324
IUPAC Name:
2-amino-6-ethyl-7-methyl-7,8-dihydro-3H-pteridin-4-one
InChI:
InChI=1S/C9H13N5O/c1-3-5-4(2)11-7-6(12-5)8(15)14-9(10)13-7/h4H,3H2,1-2H3,(H4,10,11,13,14,15)
InChI Key:
YCGMJTUHGNQJJU-UHFFFAOYSA-N
SMILES:
CC1Nc2c(N=C1CC)c(=O)nc([nH]2)N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.237g/mol
Monoisotopic Mass:
207.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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