Chemical ID: 6125272

Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
Chemical ID:
6125272
Name [?]:
4-[3-(2-furyl)-5-(trifluoromethyl)pyrazol-1-yl]-6-methyl-pyrimidin-2-amine
SMILES [?]:
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
InChi [?]:
InChI=1/C13H10F3N5O/c1-7-5-11(19-12(17)18-7)21-10(13(14,15)16)6-8(20-21)9-3-2-4-22-9/h2-6H,1H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,11,2,12,14,10,4,6,19,20,21,22,8,7,5,13,9,18/E:(14,15,16)/rA:22nCCCCNCNNNCCCNCCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s10;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10F3N5O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.26168
Area:460.505
Solvation:-3.25095
Coulombic:-58.9715
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.247
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.32
LogP (Chemaxon):2.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue