Chemical ID: 5241317

CC(C)(C)COCC(Cn1cnc2c1ncnc2N)O
Chemical ID:
5241317
Name [?]:
1-(6-aminopurin-9-yl)-3-neopentyloxy-propan-2-ol
SMILES [?]:
CC(C)(C)COCC(Cn1cnc2c1ncnc2N)O
InChi [?]:
InChI=1/C13H21N5O2/c1-13(2,3)6-20-5-9(19)4-18-8-17-10-11(14)15-7-16-12(10)18/h7-9,19H,4-6H2,1-3H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,7,5,16,11,8,13,18,14,2,19,17,15,12,10,20,6/E:(1,2,3)/rA:20cCCCCCOCCCNCNCCNCNCNO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;s10s13;d14;s15;d16;d13s17;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N5O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.05556
Area:485.33
Solvation:-5.07769
Coulombic:-63.4585
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.338
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.58
LogP (Chemaxon):1.19

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