Chemical ID: 4118484

Cc1cc(nc(n1)Nc2ccc(cc2)N)C
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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Descriptor Annotations

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