Chemical ID: 4820525

CCn1cnc2c1c(=O)n(c(=O)n2C)CCO
Chemical ID:
4820525
Name [?]:
7-ethyl-1-(2-hydroxyethyl)-3-methyl-purine-2,6-dione
SMILES [?]:
CCn1cnc2c1c(=O)n(c(=O)n2C)CCO
InChi [?]:
InChI=1/C10H14N4O3/c1-3-13-6-11-8-7(13)9(16)14(4-5-15)10(17)12(8)2/h6,15H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,15,16,4,7,6,8,11,5,13,3,10,17,9,12/rA:17nCCNCNCCCONCONCCCO/rB:s1;s2;s3;d4;s5;s3d6;s7;d8;s8;s10;d11;s6s11;s13;s10;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N4O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.4172
Area:392.715
Solvation:-3.40067
Coulombic:-63.0516
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.78
LogP (Chemaxon):0.31

Name Annotations

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Descriptor Annotations

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