Chemical ID: 4624989

CC(C)n1c2c(nc1N3CCCC3)n(c(=O)n(c2=O)C)C
Chemical ID:
4624989
Name [?]:
7-isopropyl-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione
SMILES [?]:
CC(C)n1c2c(nc1N3CCCC3)n(c(=O)n(c2=O)C)C
InChi [?]:
InChI=1/C14H21N5O2/c1-9(2)19-10-11(15-13(19)18-7-5-6-8-18)16(3)14(21)17(4)12(10)20/h9H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,11,12,10,13,2,5,6,18,8,15,7,14,17,9,4,19,16/E:(1,2)(5,6)(7,8)/rA:21nCCCNCCNCNCCCCNCONCOCC/rB:s1;s2;s2;s4;d5;s6;s4d7;s8;s9;s10;s11;s9s12;s6;s14;d15;s15;s5s17;d18;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N5O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.33028
Area:451.925
Solvation:-1.96783
Coulombic:-55.6575
Bond Count [?]
All:23
Single:19
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:291.349
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.6
LogP (Chemaxon):2.67

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Descriptor Annotations

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