Chemical ID: 7450202

CC(C)Nc1nc(nc(n1)N2CC(=O)NC2=N)NC(C)C
Chemical ID:
7450202
Name [?]:
1-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-2-imino-imidazolidin-4-one
SMILES [?]:
CC(C)Nc1nc(nc(n1)N2CC(=O)NC2=N)NC(C)C
InChi [?]:
InChI=1/C12H20N8O/c1-6(2)14-10-17-11(15-7(3)4)19-12(18-10)20-5-8(21)16-9(20)13/h6-7H,5H2,1-4H3,(H2,13,16,21)(H2,14,15,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,12,2,19,13,16,5,7,9,17,4,18,15,6,10,8,11,14/E:(1,2,3,4)(6,7)(10,11)(14,15)(18,19)/rA:21nCCCNCNCNCNNCCONCNNCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s11s15;w16;s7;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N8O
All Atoms:41
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:9.60227
Area:494.326
Solvation:-2.75587
Coulombic:-81.8122
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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