ChemDB: Chemical Search
Download
Chemical ID: 5732847
Chemical ID:
5732847
Name [?]:
6-hydroxy-8-(3-methoxypropylamino)-3-methyl-7-(2-methylprop-2-enyl)purin-2-one
SMILES [?]:
CC(=C)Cn1c2c(nc1NCCCOC)n(c(=O)nc2O)C
InChi [?]:
InChI=1/C14H21N5O3/c1-9(2)8-19-10-11(18(3)14(21)17-12(10)20)16-13(19)15-6-5-7-22-4/h1,5-8H2,2-4H3,(H,15,16)(H,17,20,21)
InChi Info:
AuxInfo=1/1/N:3,1,22,15,12,11,13,4,2,6,7,20,9,17,10,8,19,16,5,21,18,14/rA:22nCCCCNCCNCNCCCOCNCONCOC/rB:s1;d2;s2;s4;s5;d6;s7;s5d8;s9;s10;s11;s12;s13;s14;s7;s16;d17;s17;s6d19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N5O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13766 |
Area: | 511.958 |
Solvation: | -3.66128 |
Coulombic: | -75.1979 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.348 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.12 |
LogP (Chemaxon): | 2.3 |
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 |
---|