Chemical ID: 5737723

Cc1cccc(c1)Cn2c3c(nc2N4CCC(CC4)C)n(c(=O)nc3O)C
Chemical ID:
5737723
Name [?]:
6-hydroxy-3-methyl-8-(4-methyl-1-piperidyl)-7-(m-tolylmethyl)purin-2-one
SMILES [?]:
Cc1cccc(c1)Cn2c3c(nc2N4CCC(CC4)C)n(c(=O)nc3O)C
InChi [?]:
InChI=1/C20H25N5O2/c1-13-7-9-24(10-8-13)19-21-17-16(18(26)22-20(27)23(17)3)25(19)12-15-6-4-5-14(2)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,22,26,27)
InChi Info:
AuxInfo=1/1/N:20,1,27,4,3,5,16,18,15,19,7,8,17,2,6,10,11,25,13,22,12,24,21,14,9,26,23/E:(7,8)(9,10)/rA:27nCCCCCCCCNCCNCNCCCCCCNCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s13;s14;s15;s16;s17;s14s18;s17;s11;s21;d22;s22;s10d24;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N5O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6329
Area:558.832
Solvation:-2.33792
Coulombic:-63.7614
Bond Count [?]
All:30
Single:23
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:367.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):5.51

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Descriptor Annotations

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