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13005-90-8 | 2-Pteridinamine, 4-(1-methylethoxy)-
CAS No: 13005-90-8 Catalog No: AG000TYN MDL No:
Product Description
Catalog Number:
AG000TYN
Chemical Name:
2-Pteridinamine, 4-(1-methylethoxy)-
CAS Number:
13005-90-8
Molecular Formula:
C9H11N5O
Molecular Weight:
205.2165
IUPAC Name:
4-propan-2-yloxypteridin-2-amine
InChI:
InChI=1S/C9H11N5O/c1-5(2)15-8-6-7(12-4-3-11-6)13-9(10)14-8/h3-5H,1-2H3,(H2,10,12,13,14)
InChI Key:
GCOXWJWUQJLHOI-UHFFFAOYSA-N
SMILES:
CC(Oc1nc(N)nc2c1nccn2)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.221g/mol
Monoisotopic Mass:
205.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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