[Synonyms]
9-Ethyladenine
N9-Ethyladenine
1-ethyladenine
Adenine, 9-ethyl-
6-Amino-9-ethylpurine
Adenine, 9-ethyl- (8CI)
9H-Purin-6-amine, 9-ethyl-
AIDS021831
AIDS-021831
NSC14580
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 9-ethylpurin-6-amine
Canonical SMILES: CCN1C=NC2=C1N=CN=C2N
InChI: InChI=1/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,
10)/f/h8H2
9-Ethyladenine
N9-Ethyladenine
1-ethyladenine
Adenine, 9-ethyl-
6-Amino-9-ethylpurine
Adenine, 9-ethyl- (8CI)
9H-Purin-6-amine, 9-ethyl-
AIDS021831
AIDS-021831
NSC14580
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 163.17986 [g/mol] |
| Molecular Formula | C7H9N5 |
| XLogP | 0.4 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 1 |
| Tautomer Count | 3 |
| Exact Mass | 163.085795 |
| MonoIsotopic Mass | 163.085795 |
| Topological Polar Surface Area | 69.6 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 162 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 9-ethylpurin-6-amine
Canonical SMILES: CCN1C=NC2=C1N=CN=C2N
InChI: InChI=1/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,
10)/f/h8H2
