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Chemical ID: 5241319
Chemical ID:
5241319
Name [?]:
9-(2-diisopropylaminoethyl)purin-6-amine
SMILES [?]:
CC(C)N(CCn1cnc2c1ncnc2N)C(C)C
InChi [?]:
InChI=1/C13H22N6/c1-9(2)19(10(3)4)6-5-18-8-17-11-12(14)15-7-16-13(11)18/h7-10H,5-6H2,1-4H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,6,5,13,8,2,17,10,15,11,16,14,12,9,7,4/E:(1,2,3,4)(9,10)/rA:19nCCCNCCNCNCCNCNCNCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s4;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N6 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4821 |
Area: | 452.697 |
Solvation: | -1.83531 |
Coulombic: | -45.0966 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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