Chemical ID: 5870071

CC(C)NCCn1cnc2c1ncnc2N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue