Chemical ID: 4971525

CC(C)N1C(=O)CC(=O)NC1=O
Chemical ID:
4971525
Name [?]:
1-isopropylhexahydropyrimidine-2,4,6-trione
SMILES [?]:
CC(C)N1C(=O)CC(=O)NC1=O
InChi [?]:
InChI=1/C7H10N2O3/c1-4(2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
InChi Info:
AuxInfo=1/1/N:1,3,7,2,8,5,11,10,4,9,6,12/E:(1,2)/rA:12nCCCNCOCCONCO/rB:s1;s2;s2;s4;d5;s5;s7;d8;s8;s4s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.24401
Area:314.687
Solvation:-2.62318
Coulombic:-44.5645
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.166
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.6
LogP (Chemaxon):-0.28

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