Chemical ID: 4624908

CCCCCn1c2c(=O)[nH]c(=O)n(c2nc1N3CCCCC3)C
Chemical ID:
4624908
Name [?]:
3-methyl-7-pentyl-8-(1-piperidyl)purine-2,6-dione
SMILES [?]:
CCCCCn1c2c(=O)[nH]c(=O)n(c2nc1N3CCCCC3)C
InChi [?]:
InChI=1/C16H25N5O2/c1-3-4-6-11-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20-9-7-5-8-10-20/h3-11H2,1-2H3,(H,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,20,4,19,21,18,22,5,7,14,8,16,11,15,10,13,17,6,9,12/E:(7,8)(9,10)/rA:23nCCCCCNCCONCONCNCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s11;d7s13;s14;s6d15;s16;s17;s18;s19;s20;s17s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N5O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0088
Area:524.711
Solvation:-2.10896
Coulombic:-60.1093
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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