Chemical ID: 6236586

Cc1ccccc1Nc2c3c([nH]cn3)ncn2
Chemical ID:
6236586
Name [?]:
N-(o-tolyl)-9H-purin-6-amine
SMILES [?]:
Cc1ccccc1Nc2c3c([nH]cn3)ncn2
InChi [?]:
InChI=1/C12H11N5/c1-8-4-2-3-5-9(8)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,13,16,2,7,10,11,9,14,12,15,17,8/rA:17nCCCCCCCNCCCNCNNCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;s12;s10d13;s11;d15;d9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.97213
Area:392.329
Solvation:-1.8361
Coulombic:-39.9275
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.249
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.92
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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