Chemical ID: 5050705

CCCn1c2c(c(=O)[nH]c1=O)n(cn2)CCN(C)C
Chemical ID:
5050705
Name [?]:
7-(2-dimethylaminoethyl)-3-propyl-purine-2,6-dione
SMILES [?]:
CCCn1c2c(c(=O)[nH]c1=O)n(cn2)CCN(C)C
InChi [?]:
InChI=1/C12H19N5O2/c1-4-5-17-10-9(11(18)14-12(17)19)16(8-13-10)7-6-15(2)3/h8H,4-7H2,1-3H3,(H,14,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,3,16,15,13,6,5,7,10,14,9,17,12,4,8,11/E:(2,3)/rA:19nCCCNCCCONCONCNCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s4s9;d10;s6;s12;s5d13;s12;s15;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N5O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.83807
Area:455.887
Solvation:-2.5591
Coulombic:-56.1443
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.312
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.0
LogP (Chemaxon):-1.88

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