chempirical

4,5-Diamino-6-hydroxy-2-mercaptopyrimidine

C4H6N4OSCAS 1004-76-8158.18 g/mol

Open in Covalent MOL file
NH2NSHNHOH2N
PhenolPrimary amineThiol

Properties

Molecular formula
C4H6N4OS
Molar mass
158.18 g/mol
Exact mass
158.0262 Da
Melting point
above 240 °C
logP
-0.36Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
1004-76-8
SMILES
Nc1nc(S)nc(O)c1N
InChIKey
QYSWOQHLIDKEOL-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
  • Uracil, 5,6-diamino-2-thio-
  • 5,6-Diamino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
  • 2-Mercapto-4,5-diamino-6-hydroxypyrimidine
  • 5,6-Diamino-2-thiouracil
  • NSC 147804
  • NSC 45759
  • 4,5-Diamino-2-mercaptopyrimidin-6-ol
  • 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
  • 5,6-Diamino-2-mercapto-1H-pyrimidin-4-one
  • 5,6-Diamino-2-mercaptopyrimidin-4-ol

Work with 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Diamino-2,6-dimercaptopyrimidine31295-41-757 % similar 5,6-Diaminouracil3240-72-057 % similar 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)32014-70-344 % similar 2-Mercapto-4(3H)-quinazolinone13906-09-737 % similar 6-Aza-2-thiothymine615-76-936 % similar 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one15986-32-036 % similar 6-Amino-2-thiouracil1004-40-635 % similar 2-Thioxanthine2487-40-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methyl-1,2,4-thiadiazole-5-carbohydrazide1375066-73-1

Elsewhere

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