Chemical ID: 5404795

CCC1(C(=O)NC(=O)[N-]C1=O)CC
Chemical ID:
5404795
Name [?]:
5,5-diethylpyrimidine-2,4,6-trione
SMILES [?]:
CCC1(C(=O)NC(=O)[N-]C1=O)CC
InChi [?]:
InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)/p-1
InChi Info:
AuxInfo=1/5/N:1,13,2,12,4,10,7,3,6,9,5,11,8/E:(1,2)(3,4)(5,6)(9,10)(11,12)/rA:13nCCCCONCON-COCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s3s9;d10;s3;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N2O3-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-24.5514
Area:327.019
Solvation:-32.7269
Coulombic:-17.0269
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.185
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.22
LogP (Chemaxon):0.74

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