Chemical ID: 5327609

CCCN(CC1CC1)c2c(c(nc(n2)C)Nc3c(cc(cc3Cl)Cl)Cl)Cl
Chemical ID:
5327609
Name [?]:
5-chloro-N-(cyclopropylmethyl)-2-methyl-N-propyl-N'-(2,4,6-trichlorophenyl)-pyrimidine-4,6-diamine
SMILES [?]:
CCCN(CC1CC1)c2c(c(nc(n2)C)Nc3c(cc(cc3Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,15,2,7,8,3,19,21,5,13,6,20,18,22,10,17,11,9,24,25,23,26,12,14,16,4/E:(4,5)(7,8)(13,14)(20,21)/rA:26nCCCNCCCCCCCNCNCNCCCCCCClClClCl/rB:s1;s2;s3;s4;s5;s6;s6s7;s4;s9;d10;s11;d12;d9s13;s13;s11;s16;s17;d18;s19;d20;d17s21;s22;s20;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20Cl4N4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:13.7987
Area:612.603
Solvation:-1.51641
Coulombic:-32.0259
Bond Count [?]
All:28
Single:22
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:434.189
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.93
LogP (Chemaxon):7.34

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