Chemical ID: 6720418

c1ccc(cc1)c2cc(nc(n2)NCc3ccc(cc3)F)C(F)(F)F
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

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