Chemical ID: 5817035

CCOCCCNc1[nH]c2c(n1)c(=O)n(c(=O)n2C)C
Chemical ID:
5817035
Name [?]:
8-(3-ethoxypropylamino)-1,3-dimethyl-9H-purine-2,6-dione
SMILES [?]:
CCOCCCNc1[nH]c2c(n1)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C12H19N5O3/c1-4-20-7-5-6-13-11-14-8-9(15-11)16(2)12(19)17(3)10(8)18/h4-7H2,1-3H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,5,6,4,11,10,13,8,16,7,12,9,18,15,14,17,3/rA:20nCCOCCCNCNCCNCONCONCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;d8s11;s11;d13;s13;s15;d16;s10s16;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N5O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.36311
Area:495.983
Solvation:-4.03647
Coulombic:-71.3884
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.25
LogP (Chemaxon):0.66

Name Annotations

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Descriptor Annotations

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