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Chemical ID: 5162631
Chemical ID:
5162631
Name [?]:
9-(2,2-dimethoxyethyl)purin-6-amine
SMILES [?]:
COC(Cn1cnc2c1ncnc2N)OC
InChi [?]:
InChI=1/C9H13N5O2/c1-15-6(16-2)3-14-5-13-7-8(10)11-4-12-9(7)14/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,16,4,11,6,3,8,13,9,14,12,10,7,5,2,15/E:(1,2)(15,16)/rA:16nCOCCNCNCCNCNCNOC/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;d9;s10;d11;d8s12;s13;s3;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N5O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.99871 |
Area: | 388.418 |
Solvation: | -3.71174 |
Coulombic: | -55.873 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.24 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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