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Chemical ID: 6687283
Chemical ID:
6687283
Name [?]:
5-butyl-4-(dimethylsulfamoyloxy)-2-ethylamino-6-methyl-pyrimidine
SMILES [?]:
CCCCc1c(nc(nc1OS(=O)(=O)N(C)C)NCC)C
InChi [?]:
InChI=1/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,20,21,16,17,2,19,3,4,6,5,10,8,18,7,9,15,13,14,11,12/E:(4,5)(18,19)/CRV:21.6/rA:21nCCCCCCNCNCOSOONCCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;d12;s12;s15;s15;s8;s18;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N4O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6296 |
Area: | 500.5 |
Solvation: | -1.88292 |
Coulombic: | -36.206 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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