Chemical ID: 5325570

CC(C)c1[nH]c2c(n1)n(c(=O)n(c2=O)C)C
Chemical ID:
5325570
Name [?]:
8-isopropyl-1,3-dimethyl-7H-purine-2,6-dione
SMILES [?]:
CC(C)c1[nH]c2c(n1)n(c(=O)n(c2=O)C)C
InChi [?]:
InChI=1/C10H14N4O2/c1-5(2)7-11-6-8(12-7)13(3)10(16)14(4)9(6)15/h5H,1-4H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,2,6,4,7,13,10,5,8,9,12,14,11/E:(1,2)/rA:16nCCCCNCCNNCONCOCC/rB:s1;s2;s2;s4;s5;d6;d4s7;s7;s9;d10;s10;s6s12;d13;s12;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.87825
Area:387.098
Solvation:-1.7992
Coulombic:-52.4171
Bond Count [?]
All:17
Single:13
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.02
LogP (Chemaxon):1.64

Name Annotations

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Descriptor Annotations

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