(4-Amino-2-(methylthio)pyrimidin-5-yl)methanol

C₆H₉N₃OSCAS 588-36-3171.22 g/mol

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Alcohol Primary amine Sulfide

Properties

Molecular formula: C₆H₉N₃OS
Molar mass: 171.22 g/mol
Exact mass: 171.0466 Da
logP: 0.27Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 2 / 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

588-36-3

SMILES

CSC1=NC=C(C(=N1)N)CO

InChIKey

XLVOWGDFXAVSFE-UHFFFAOYSA-N

InChI

InChI=1S/C6H9N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)

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Names and synonyms

1 names

Methioprim

Work with (4-Amino-2-(methylthio)pyrimidin-5-yl)methanol

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-carbonitrile770-30-950 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde770-31-050 % similar (2-Aminopyridin-3-yl)methanol23612-57-942 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-639 % similar 2-Amino-5-bromo-3-(hydroxymethyl)pyridine335031-01-139 % similar 4-Amino-2-methylmercaptoquinazoline63963-40-638 % similar 4,5-Dichloro-2-(methylsul...99469-85-938 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-236 % similar

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

Elsewhere

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