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Chemical ID: 6290729
Chemical ID:
6290729
Name [?]:
5-(2,6-difluorophenyl)aminoiminohexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(c(c(c1)F)NN=C2C(=O)NC(=O)NC2=O)F
InChi [?]:
InChI=1/C10H6F2N4O3/c11-4-2-1-3-5(12)6(4)15-16-7-8(17)13-10(19)14-9(7)18/h1-3,15H,(H2,13,14,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,11,17,14,19,7,13,16,8,9,12,18,15/E:(2,3)(4,5)(8,9)(11,12)(13,14)(17,18)/rA:19nCCCCCCFNNCCONCONCOF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s10;d11;s11;s13;d14;s14;s10s16;d17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6F2N4O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.06112 |
Area: | 403.574 |
Solvation: | -5.02822 |
Coulombic: | -68.9724 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 268.177 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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