Chemical ID: 4963448

CC(C)Nc1nc2c(n1C)c(=O)n(c(=O)n2C)C
Chemical ID:
4963448
Name [?]:
8-isopropylamino-1,3,7-trimethyl-purine-2,6-dione
SMILES [?]:
CC(C)Nc1nc2c(n1C)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C11H17N5O2/c1-6(2)12-10-13-8-7(14(10)3)9(17)16(5)11(18)15(8)4/h6H,1-5H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,17,18,2,8,7,11,5,14,4,6,9,16,13,12,15/E:(1,2)/rA:18nCCCNCNCCNCCONCONCC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s9;s8;d11;s11;s13;d14;s7s14;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N5O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.72369
Area:424.923
Solvation:-1.89938
Coulombic:-60.1976
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.53
LogP (Chemaxon):1.65

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