ChemDB: Chemical Search
Download
Chemical ID: 4246088
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|