Chemical ID: 5120948

CCN(CC)CC(Cn1cnc2c1ncnc2)O
Chemical ID:
5120948
Name [?]:
1-diethylamino-3-purin-9-yl-propan-2-ol
SMILES [?]:
CCN(CC)CC(Cn1cnc2c1ncnc2)O
InChi [?]:
InChI=1/C12H19N5O/c1-3-16(4-2)6-10(18)7-17-9-15-11-5-13-8-14-12(11)17/h5,8-10,18H,3-4,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,17,6,8,15,10,7,12,13,16,14,11,3,9,18/E:(1,2)(3,4)/rA:18cCCNCCCCCNCNCCNCNCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N5O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.32439
Area:442.033
Solvation:-3.72643
Coulombic:-43.0784
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.08
LogP (Chemaxon):0.38

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Descriptor Annotations

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