6-Chloro-2-(methylthio)pyrimidin-4-amine

C5H6ClN3SCAS 1005-38-5175.63 g/mol

Open in Covalent MOL file
SNClNHHN
Aryl halideSulfide

Properties

Molecular formula
C5H6ClN3S
Molar mass
175.63 g/mol
Exact mass
174.9971 Da
Melting point
126–127 °C
logP
1.26Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1005-38-5
SMILES
CSc1nc(Cl)cc(=N)[nH]1
InChIKey
ISUXMAHVLFRZQU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

11 names
  • 4-Pyrimidinamine, 6-chloro-2-(methylthio)-
  • Pyrimidine, 4-amino-6-chloro-2-(methylthio)-
  • 6-Chloro-2-(methylthio)-4-pyrimidinamine
  • U 8342
  • 4-Amino-6-chloro-2-methylthiopyrimidine
  • 4-Amino-6-chloro-2-methylsulfanylpyrimidine
  • NSC 19859
  • 6-Chloro-2-methylthiopyrimidin-4-ylamine
  • (6-Chloro-2-methylsulfanylpyrimidin-4-yl)amine
  • 6-Amino-4-chloro-2-(methylsulfanyl)pyrimidine
  • 6-Chloro-2-methylsulfanyl-pyrimidin-4-amine

Work with 6-Chloro-2-(methylthio)pyrimidin-4-amine

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-pyrimidinediamine1005-39-659 % similar 2,6-Dichloro-4-pyrimidinamine10132-07-758 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-847 % similar 4-Chloro-6-methyl-2-(methylthio)pyrimidine17119-73-241 % similar 2-Amino-4-chloro-6-methylpyrimidine5600-21-541 % similar 2-Chloro-6-methyl-4-pyrimidinamine14394-60-639 % similar 4,6-Dichloro-2-pyrimidinamine56-05-339 % similar 4-Amino-2-(methylthio)-6-pyrimidinol1074-41-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook