Chemical ID: 6046397

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]cn2
Chemical ID:
6046397
Name [?]:
1,3-dipropyl-7H-purine-2,6-dione
SMILES [?]:
CCCn1c2c(c(=O)n(c1=O)CCC)[nH]cn2
InChi [?]:
InChI=1/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,3,12,16,6,5,7,10,15,17,4,9,8,11/rA:17nCCCNCCCONCOCCCNCN/rB:s1;s2;s3;s4;d5;s6;d7;s7;s4s9;d10;s9;s12;s13;s6;s15;s5d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N4O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.49555
Area:413.399
Solvation:-1.83941
Coulombic:-52.9203
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.76
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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