Chemical ID: 4609915

CCCCCn1cnc2c1c(=O)n(c(=O)n2C)C
Chemical ID:
4609915
Name [?]:
1,3-dimethyl-7-pentyl-purine-2,6-dione
SMILES [?]:
CCCCCn1cnc2c1c(=O)n(c(=O)n2C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H18N4O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.04316
Area:436.547
Solvation:-1.87052
Coulombic:-48.3698
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.42
LogP (Chemaxon):2.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue