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Chemical ID: 5870071
Chemical ID:
5870071
Name [?]:
9-(2-isopropylaminoethyl)purin-6-amine
SMILES [?]:
CC(C)NCCn1cnc2c1ncnc2N
InChi [?]:
InChI=1/C10H16N6/c1-7(2)12-3-4-16-6-15-8-9(11)13-5-14-10(8)16/h5-7,12H,3-4H2,1-2H3,(H2,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,5,6,13,8,2,10,15,11,16,4,14,12,9,7/E:(1,2)/rA:16nCCCNCCNCNCCNCNCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N6 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53114 |
Area: | 415.019 |
Solvation: | -1.84433 |
Coulombic: | -48.4698 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.274 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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