Chemical ID: 5282193

CC1CN(CC(O1)C)c2[nH]c3c(n2)n(c(=O)n(c3=O)C)C
Chemical ID:
5282193
Name [?]:
8-(2,6-dimethylmorpholin-4-yl)-1,3-dimethyl-7H-purine-2,6-dione
SMILES [?]:
CC1CN(CC(O1)C)c2[nH]c3c(n2)n(c(=O)n(c3=O)C)C
InChi [?]:
InChI=1/C13H19N5O3/c1-7-5-18(6-8(2)21-7)12-14-9-10(15-12)16(3)13(20)17(4)11(9)19/h7-8H,5-6H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,3,5,2,6,11,12,18,9,15,10,13,14,17,4,19,16,7/E:(1,2)(5,6)(7,8)/rA:21cCCCNCCOCCNCCNNCONCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;d11;d9s12;s12;s14;d15;s15;s11s17;d18;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N5O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.2521
Area:467.189
Solvation:-3.42763
Coulombic:-67.5984
Bond Count [?]
All:23
Single:19
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.322
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.42
LogP (Chemaxon):1.82

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Descriptor Annotations

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