Chemical ID: 5817036

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)NC3CCCC3
Chemical ID:
5817036
Name [?]:
8-cyclopentylamino-1,3-dimethyl-9H-purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)NC3CCCC3
InChi [?]:
InChI=1/C12H17N5O2/c1-16-9-8(10(18)17(2)12(16)19)14-11(15-9)13-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,17,18,16,19,15,4,3,5,12,8,14,11,13,2,7,6,9/E:(3,4)(5,6)/rA:19nCNCCCONCOCNCNNCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;d11;s3s12;s12;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N5O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.8233
Area:442.24
Solvation:-2.2327
Coulombic:-64.5108
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:263.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.92
LogP (Chemaxon):1.62

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Descriptor Annotations

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