Chemical ID: 7393556

Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)O)C)C
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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Descriptor Annotations

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