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

C₆H₇N₃OSCAS 770-31-0169.20 g/mol

Open in Covalent MOL file

Aldehyde Primary amine Sulfide

Properties

Molecular formula: C₆H₇N₃OS
Molar mass: 169.20 g/mol
Exact mass: 169.0310 Da
logP: 0.59Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

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

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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