Chemical ID: 5103167

CNc1c2c(ncn1)n(cn2)CCn3cnc4c3ncnc4NC
Chemical ID:
5103167
Name [?]:
N-methyl-9-[2-(6-methylaminopurin-9-yl)ethyl]purin-6-amine
SMILES [?]:
CNc1c2c(ncn1)n(cn2)CCn3cnc4c3ncnc4NC
InChi [?]:
InChI=1/C14H16N10/c1-15-11-9-13(19-5-17-11)23(7-21-9)3-4-24-8-22-10-12(16-2)18-6-20-14(10)24/h5-8H,3-4H2,1-2H3,(H,15,17,19)(H,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,12,13,7,20,10,15,4,17,3,22,5,18,2,23,8,21,6,19,11,16,9,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCNCCCNCNNCNCCNCNCCNCNCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s5;s9;s4d10;s9;s12;s13;s14;d15;s16;s14s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N10
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1254
Area:527.676
Solvation:-3.06646
Coulombic:-69.5631
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.344
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.65
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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