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Chemical ID: 4971525
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
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Experimental Annotations
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Descriptor Annotations
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