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Chemical ID: 5243263
Chemical ID:
5243263
Name [?]:
1-(6-aminopurin-9-yl)-3-(ethyl-(2-hydroxyethyl)amino)-propan-2-ol
SMILES [?]:
CCN(CCO)CC(Cn1cnc2c1ncnc2N)O
InChi [?]:
InChI=1/C12H20N6O2/c1-2-17(3-4-19)5-9(20)6-18-8-16-10-11(13)14-7-15-12(10)18/h7-9,19-20H,2-6H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,7,9,16,11,8,13,18,14,19,17,15,12,3,10,6,20/rA:20cCCNCCOCCCNCNCCNCNCNO/rB:s1;s2;s3;s4;s5;s3;s7;s8;s9;s10;d11;s12;s10s13;d14;s15;d16;d13s17;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N6O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.81139 |
Area: | 479.296 |
Solvation: | -6.17103 |
Coulombic: | -74.9808 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.326 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -1.14 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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