Chemical ID: 5243263

CCN(CCO)CC(Cn1cnc2c1ncnc2N)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue