Chemical ID: 4946734

Cc1c(c(nc(n1)O)S)C(=O)NC(C)(CO)CO
Chemical ID:
4946734
Name [?]:
2-hydroxy-N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-4-methyl-6-sulfanyl-pyrimidine-5-carboxamide
SMILES [?]:
Cc1c(c(nc(n1)O)S)C(=O)NC(C)(CO)CO
InChi [?]:
InChI=1/C10H15N3O4S/c1-5-6(8(18)12-9(17)11-5)7(16)13-10(2,3-14)4-15/h14-15H,3-4H2,1-2H3,(H,13,16)(H2,11,12,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,15,17,2,3,10,4,6,13,7,5,12,16,18,11,8,9/E:(3,4)(14,15)/rA:18nCCCCNCNOSCONCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s3;d10;s10;s12;s13;s13;s15;s13;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15N3O4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.17431
Area:428.613
Solvation:-4.54101
Coulombic:-84.6094
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.31
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.73
LogP (Chemaxon):-0.58

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