4-Amino-2-methylmercaptoquinazoline

C₉H₉N₃SCAS 63963-40-6191.25 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₉H₉N₃S
Molar mass: 191.25 g/mol
Exact mass: 191.0517 Da
logP: 1.93Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

63963-40-6

SMILES

CSC1=NC2=CC=CC=C2C(=N1)N

InChIKey

MXRPUVYQSUYFTH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3,(H2,10,11,12)

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Names and synonyms

1 names

2-(Methylsulfanyl)quinazolin-4-amine

Work with 4-Amino-2-methylmercaptoquinazoline

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-(methylsulfanyl)pyrimidine-5-carbonitrile770-30-941 % similar 4-Methyl-2-quinolinamine27063-27-038 % similar 9-Methylacridine611-64-338 % similar (4-Amino-2-(methylthio)pyrimidin-5-yl)methanol588-36-338 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde770-31-038 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-638 % similar 2-(Methylthio)aniline2987-53-337 % similar 5-Aminoquinaldine54408-50-336 % similar

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

Elsewhere

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