2-(Methylthio)pyrimidin-4-amine

C₅H₇N₃SCAS 2183-66-6141.19 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₅H₇N₃S
Molar mass: 141.19 g/mol
Exact mass: 141.0361 Da
logP: 0.78Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction95.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2183-66-6

SMILES

CSC1=NC=CC(=N1)N

InChIKey

HGGXLEAHOVIYKT-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(Methylthio)pyrimidin-4-amine

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-Methyl-2-(methylthio)pyrimidine14001-63-955 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-855 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-253 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-648 % similar 4-Amino-2-chloropyrimidine7461-50-948 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-046 % similar 2-(Chloromethyl)pyrimidin-4-amine79651-35-742 % similar 3-Methylthio-1,2,4-triazine28735-21-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Cyclopropyl-1,3,4-thiadiazol-2-amine57235-50-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook