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Chemical ID: 4118483
Chemical ID:
4118483
Name [?]:
N-(4,6-dimethylpyrimidin-2-yl)-N-methyl-benzene-1,4-diamine
SMILES [?]:
Cc1cc(nc(n1)N(C)c2ccc(cc2)N)C
InChi [?]:
InChI=1/C13H16N4/c1-9-8-10(2)16-13(15-9)17(3)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,9,12,14,11,15,3,2,4,13,10,6,16,7,5,8/E:(1,2)(4,5)(6,7)(9,10)(15,16)/rA:17nCCCCNCNNCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s10;d11;s12;d13;d10s14;s13;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50118 |
Area: | 421.407 |
Solvation: | -2.03399 |
Coulombic: | -33.9644 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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