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Chemical ID: 6632316
Chemical ID:
6632316
Name [?]:
5,5-diethyl-2-hydroxy-1H-pyrimidine-4,6-dione
SMILES [?]:
CCC1(C(=O)NC(=NC1=O)O)CC
InChi [?]:
InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,4,9,7,3,6,8,5,10,11/E:(1,2)(3,4)(5,6)(9,10)(11,12)/rA:13nCCCCONCNCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s3s8;d9;s7;s3;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08594 |
Area: | 329.25 |
Solvation: | -2.14531 |
Coulombic: | -52.6559 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.193 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.74 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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