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Chemical ID: 4505418
Chemical ID:
4505418
Name [?]:
4-[4-(4-aminophenyl)-6-phenyl-pyrimidin-2-yl]aniline
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)c3ccc(cc3)N)c4ccc(cc4)N
InChi [?]:
InChI=1/C22H18N4/c23-18-10-6-16(7-11-18)21-14-20(15-4-2-1-3-5-15)25-22(26-21)17-8-12-19(24)13-9-17/h1-14H,23-24H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,14,18,22,24,15,17,8,4,20,13,23,16,7,9,11,26,19,12,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCCCNCNCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9672 |
Area: | 568.895 |
Solvation: | -2.25521 |
Coulombic: | -47.5426 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.405 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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