Chemical ID: 5253715

CCn1c(=O)c2c(ncn2C)n(c1=O)C
Chemical ID:
5253715
Name [?]:
1-ethyl-3,7-dimethyl-purine-2,6-dione
SMILES [?]:
CCn1c(=O)c2c(ncn2C)n(c1=O)C
InChi [?]:
InChI=1/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,15,2,9,6,7,4,13,8,10,12,3,5,14/rA:15nCCNCOCCNCNCNCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s7;s3s12;d13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N4O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.04953
Area:357.526
Solvation:-1.88863
Coulombic:-47.4106
Bond Count [?]
All:16
Single:12
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:208.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.07
LogP (Chemaxon):0.75

Name Annotations

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Descriptor Annotations

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