chempirical

4,6-Diamino-2-mercaptopyrimidine

C4H6N4SCAS 1004-39-3142.18 g/mol

Open in Covalent MOL file
NHNH2NHSHN
Primary amineThiol

Properties

Molecular formula
C4H6N4S
Molar mass
142.18 g/mol
Exact mass
142.0313 Da
Melting point
above 360 °C
logP
-0.24Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1004-39-3
SMILES
N=c1cc(N)nc(S)[nH]1
InChIKey
QCAWOHUJKPKOMD-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)

Weigh it out

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Names and synonyms

14 names · show all
  • 2(1H)-Pyrimidinethione, 4,6-diamino-
  • 2-Pyrimidinethiol, 4,6-diamino-
  • 4,6-Diamino-2(1H)-pyrimidinethione
  • 4,6-Diamino-2-thiopyrimidine
  • 2-Mercapto-4,6-diaminopyrimidine
  • 4,6-Diamino-2-pyrimidinethiol
  • 2-Thio-6-aminocytosine
  • 4,6-Diamino-1,2-dihydro-2-thioxopyrimidine
  • 4,6-Diaminopyrimidine-2-thione
  • 4,6-Diamino-2-thiouracil
  • NSC 1586
  • NSC 680831
  • 4,6-Diamino-1H-pyrimidine-2-thione
  • 4,6-Diaminopyrimidine-2(1H)-thione

Work with 4,6-Diamino-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

2-(Methylthio)-4,6-pyrimidinediamine1005-39-650 % similar 2-Thiocytosine333-49-344 % similar 2-Amino-1,3,5-triazine-4,6-dithiol2770-75-441 % similar 5-Amino-2-mercaptobenzimidazole2818-66-838 % similar 6-Amino-2-thiouracil1004-40-634 % similar 4,6-Diaminopyrimidin-2(1H)-one31458-45-434 % similar 2,4,6-Triaminopyrimidine1004-38-233 % similar 2,6-Dimethyl-4-pyrimidinamine461-98-332 % similar

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

Same formula

4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate56-08-6

Elsewhere

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