4-Amino-2-(methylthio)-6-pyrimidinol

C₅H₇N₃OSCAS 1074-41-5157.19 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₅H₇N₃OS
Molar mass: 157.19 g/mol
Exact mass: 157.0310 Da
logP: 0.07Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

1074-41-5

SMILES

CSC1=NC(=CC(=O)N1)N

InChIKey

PXYQQKWEFDEUIX-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)

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Names and synonyms

1 names

6-Amino-2-(methylsulfanyl)pyrimidin-4-ol

Work with 4-Amino-2-(methylthio)-6-pyrimidinol

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-pyrimidinediamine1005-39-662 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-538 % similar 2-(Methylthio)benzimidazole7152-24-136 % similar Simetryn1014-70-633 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-330 % similar

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

Elsewhere

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