Chemical ID: 4985966

CCC1(C(=O)NC(=O)N(C1=O)C)CCC(C)C
Chemical ID:
4985966
Name [?]:
5-ethyl-5-isopentyl-1-methyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCC1(C(=O)NC(=O)N(C1=O)C)CCC(C)C
InChi [?]:
InChI=1/C12H20N2O3/c1-5-12(7-6-8(2)3)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,12,2,14,13,15,4,10,7,3,6,9,5,11,8/E:(2,3)/rA:17cCCCCONCONCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s3s9;d10;s9;s3;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.35344
Area:414.566
Solvation:-2.01071
Coulombic:-48.125
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:240.299
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.22
LogP (Chemaxon):2.11

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