4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

C6H7N3OSCAS 770-31-0169.20 g/mol

Open in Covalent MOL file
SNNNH2O
AldehydePrimary amineSulfide

Properties

Molecular formula
C6H7N3OS
Molar mass
169.20 g/mol
Exact mass
169.0310 Da
logP
0.59Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
770-31-0
SMILES
CSC1=NC=C(C(=N1)N)C=O
InChIKey
FGONQMFYFJRAIG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)

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Names and synonyms

1 names
  • 4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde

Work with 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

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-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-064 % similar 4-Amino-2-methylpyrimidine-5-carbaldehyde73-68-758 % similar 2,4-Diaminopyrimidine-5-carbaldehyde20781-06-057 % similar 2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-051 % similar (4-Amino-2-(methylthio)pyrimidin-5-yl)methanol588-36-350 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile770-30-950 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-647 % similar 2-Amino-5-methylnicotinaldehyde1023814-35-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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