Chemical ID: 4927852

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)Nc3ccccc3
Chemical ID:
4927852
Name [?]:
8-anilino-1,3-dimethyl-9H-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)Nc3ccccc3
InChi [?]:
InChI=1/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,20,15,4,3,5,12,8,14,11,13,2,7,6,9/E:(4,5)(6,7)/rA:20nCNCCCONCOCNCNNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;d11;s3s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N5O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.57368
Area:441.523
Solvation:-2.4644
Coulombic:-64.7533
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:271.275
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.23
LogP (Chemaxon):2.1

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Descriptor Annotations

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