ChemDB: Chemical Search
Download
Chemical ID: 6421230
Chemical ID:
6421230
Name [?]:
1,3-diisopropylhexahydropyrimidine-2,4,6-trione
SMILES [?]:
CC(C)N1C(=O)CC(=O)N(C1=O)C(C)C
InChi [?]:
InChI=1/C10H16N2O3/c1-6(2)11-8(13)5-9(14)12(7(3)4)10(11)15/h6-7H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,7,2,13,5,8,11,4,10,6,9,12/E:(1,2,3,4)(6,7)(8,9)(11,12)(13,14)/rA:15nCCCNCOCCONCOCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s8;s4s10;d11;s10;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.95181 |
Area: | 368.953 |
Solvation: | -2.27201 |
Coulombic: | -41.7127 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.42 |
LogP (Chemaxon): | 0.72 |
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 |
---|