Chemical ID: 4246088

Cc1cc(nc(n1)NC(=N)N(Cc2ccccc2)Cc3ccccc3)C
Chemical ID:
4246088
Name [?]:
1,1-dibenzyl-3-(4,6-dimethylpyrimidin-2-yl)-guanidine
SMILES [?]:
Cc1cc(nc(n1)NC(=N)N(Cc2ccccc2)Cc3ccccc3)C
InChi [?]:
InChI=1/C21H23N5/c1-16-13-17(2)24-21(23-16)25-20(22)26(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3,(H2,22,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,16,23,15,17,22,24,14,18,21,25,3,12,19,2,4,13,20,9,6,10,7,5,8,11/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)(23,24)/rA:26nCCCCNCNNCNNCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9158
Area:570.76
Solvation:-3.35324
Coulombic:-42.787
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:345.441
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):4.66

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Descriptor Annotations

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