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Chemical ID: 5327609
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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