Chemical ID: 4765239

c1ccc2c(c1)OCC(O2)c3ncc(c(n3)N)C#N
Chemical ID:
4765239
Name [?]:
4-amino-2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-3-yl)pyrimidine-5-carbonitrile
SMILES [?]:
c1ccc2c(c1)OCC(O2)c3ncc(c(n3)N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H10N4O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.79029
Area:436.475
Solvation:-3.12158
Coulombic:-48.1408
Bond Count [?]
All:21
Single:14
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:254.244
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.31
LogP (Chemaxon):1.84

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