Chemical ID: 4923954

Cn1cc2ccccc2c1c3nc(nc(n3)F)N
Chemical ID:
4923954
Name [?]:
4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine
SMILES [?]:
Cn1cc2ccccc2c1c3nc(nc(n3)F)N
InChi [?]:
InChI=1/C12H10FN5/c1-18-6-7-4-2-3-5-8(7)9(18)10-15-11(13)17-12(14)16-10/h2-6H,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,3,4,9,10,11,15,13,17,18,16,12,14,2/rA:18nCNCCCCCCCCCNCNCNFN/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;s2d9;s10;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10FN5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.41729
Area:394.421
Solvation:-1.44324
Coulombic:-49.1835
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.24
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.87
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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