chempirical

2-(Methylthio)-4,6-pyrimidinediamine

C5H8N4SCAS 1005-39-6156.21 g/mol

Open in Covalent MOL file
SNNH2NHHN
Primary amineSulfide

Properties

Molecular formula
C5H8N4S
Molar mass
156.21 g/mol
Exact mass
156.0470 Da
Melting point
188–189 °C
logP
0.19Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
1005-39-6
SMILES
CSc1nc(N)cc(=N)[nH]1
InChIKey
AHAIUNAIAHSWPG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N4S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H4,6,7,8,9)

Weigh it out

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

Names and synonyms

10 names
  • 4,6-Pyrimidinediamine, 2-(methylthio)-
  • Pyrimidine, 4,6-diamino-2-(methylthio)-
  • 2-Methylthio-4,6-diaminopyrimidine
  • 4,6-Diamino-2-(methylmercapto)pyrimidine
  • 4,6-Diamino-2-(methylthio)pyrimidine
  • NSC 44919
  • NSC 60555
  • 2-Methylsulfanyl-pyrimidine-4,6-diamine
  • 2-Methylsulfanylpyrimidine-4,6-diamine
  • 2-(Methylsulfanyl)pyrimidine-4,6-diamine

Work with 2-(Methylthio)-4,6-pyrimidinediamine

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-Amino-2-(methylthio)-6-pyrimidinol1074-41-562 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-559 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-350 % similar 5-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-537 % similar 2,6-Dimethyl-4-pyrimidinamine461-98-337 % similar 2-(Methylthio)benzimidazole7152-24-137 % similar 2,6-Dichloro-4-pyrimidinamine10132-07-732 % similar 2-Chloro-6-methyl-4-pyrimidinamine14394-60-632 % similar

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

Elsewhere

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