ChemDB: Chemical Search
Download
Chemical ID: 5282193
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|