Chemical ID: 3968013

Cn1cnc2c1c(=O)n(c(=O)[nH]2)C
Chemical ID:
3968013
Name [?]:
1,7-dimethyl-3H-purine-2,6-dione
SMILES [?]:
Cn1cnc2c1c(=O)n(c(=O)[nH]2)C
InChi [?]:
InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChi Info:
AuxInfo=1/1/N:1,13,3,6,5,7,10,4,12,2,9,8,11/rA:13nCNCNCCCONCONC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s5s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.92494
Area:317.777
Solvation:-2.01948
Coulombic:-50.828
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:180.164
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.64
LogP (Chemaxon):0.16

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Descriptor Annotations

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