Chemical ID: 6208121

Cc1ccc(cc1)NC2=NC(=NC(N2)(C)C)N
Chemical ID:
6208121
Name [?]:
6,6-dimethyl-N-(p-tolyl)-1H-1,3,5-triazine-2,4-diamine
SMILES [?]:
Cc1ccc(cc1)NC2=NC(=NC(N2)(C)C)N
InChi [?]:
InChI=1/C12H17N5/c1-8-4-6-9(7-5-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,7,4,6,2,5,11,9,13,17,8,10,12,14/E:(2,3)(4,5)(6,7)/rA:17nCCCCCCCNCNCNCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s12;s9s13;s13;s13;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.64153
Area:416.981
Solvation:-1.78298
Coulombic:-52.4136
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:231.297
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.73
LogP (Chemaxon):3.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue