Chemical ID: 6687283

CCCCc1c(nc(nc1OS(=O)(=O)N(C)C)NCC)C
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

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Descriptor Annotations

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