Chemical ID: 5162631

COC(Cn1cnc2c1ncnc2N)OC
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

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Descriptor Annotations

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