Chemical ID: 3847415

CCCCSc1ncc(c(n1)N)C(=O)OCC
Chemical ID:
3847415
Name [?]:
ethyl 4-amino-2-butylsulfanyl-pyrimidine-5-carboxylate
SMILES [?]:
CCCCSc1ncc(c(n1)N)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H17N3O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.0628
Area:468.322
Solvation:-1.64522
Coulombic:-48.8094
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.338
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.54
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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