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Chemical ID: 4946734
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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