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Chemical ID: 7393556
Chemical ID:
7393556
Name [?]:
3-acetyl-1-(4,6-dimethylpyrimidin-2-yl)amino-4-hydroxy-6-methyl-pyridin-2-one
SMILES [?]:
Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)O)C)C
InChi [?]:
InChI=1/C14H16N4O3/c1-7-5-8(2)16-14(15-7)17-18-9(3)6-11(20)12(10(4)19)13(18)21/h5-6,20H,1-4H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,21,20,18,3,11,2,4,10,16,12,13,14,6,7,5,8,9,17,19,15/E:(1,2)(7,8)(15,16)/rA:21nCCCCNCNNNCCCCCOCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s16;s12;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03936 |
Area: | 475.939 |
Solvation: | -4.85912 |
Coulombic: | -53.372 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 288.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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