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Chemical ID: 6720418
Chemical ID:
6720418
Name [?]:
N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)NCc3ccc(cc3)F)C(F)(F)F
InChi [?]:
InChI=1/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,8,14,15,4,18,7,9,11,22,21,23,24,25,13,12,10/E:(2,3)(4,5)(6,7)(8,9)(20,21,22)/rA:25nCCCCCCCCCNCNNCCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s9;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13F4N3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0215 |
Area: | 529.956 |
Solvation: | -3.2274 |
Coulombic: | -49.2193 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.02 |
LogP (Chemaxon): | 5.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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