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Chemical ID: 5103167
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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