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Chemical ID: 4272803
Chemical ID:
4272803
Name [?]:
4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
SMILES [?]:
c1cc(ccc1c2cc(nc(n2)c3ccc(cc3)N)c4ccc(cc4)N)N
InChi [?]:
InChI=1/C22H19N5/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)27-22(26-20)16-5-11-19(25)12-6-16/h1-13H,23-25H2
InChi Info:
AuxInfo=1/0/N:1,5,21,25,14,18,2,4,22,24,15,17,8,6,20,13,3,23,16,7,9,11,27,26,19,12,10/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(14,15)(17,18)(20,21)(23,24)(26,27)/rA:27nCCCCCCCCCNCNCCCCCCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1893 |
Area: | 588.512 |
Solvation: | -2.52349 |
Coulombic: | -62.8889 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.42 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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