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Chemical ID: 4118484
Chemical ID:
4118484
Name [?]:
N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
SMILES [?]:
Cc1cc(nc(n1)Nc2ccc(cc2)N)C
InChi [?]:
InChI=1/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,11,13,10,14,3,2,4,12,9,6,15,7,5,8/E:(1,2)(3,4)(5,6)(8,9)(14,15)/rA:16nCCCCNCNNCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08124 |
Area: | 398.85 |
Solvation: | -1.89002 |
Coulombic: | -38.6455 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 214.267 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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