4,6-Dichloro-2-(propylthio)pyrimidin-5-amine

C₇H₉Cl₂N₃SCAS 145783-15-9238.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfide

Properties

Molecular formula: C₇H₉Cl₂N₃S
Molar mass: 238.13 g/mol
Exact mass: 236.9894 Da
logP: 2.87Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H413 May cause long lasting harmful effects to aquatic life40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

145783-15-9

SMILES

CCCSc1nc(Cl)c(N)c(Cl)n1

InChIKey

CJJLJBFJNXMANZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

Weigh it out

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

Names and synonyms

4 names

5-Pyrimidinamine, 4,6-dichloro-2-(propylthio)-
4,6-Dichloro-2-(propylthio)-5-pyrimidinamine
5-Amino-4,6-dichloro-2-(propylthio)pyrimidine
4,6-Dichloro-2-(propylsulfanyl)-5-pyrimidinamine

Work with 4,6-Dichloro-2-(propylthio)pyrimidin-5-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

4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine145783-14-854 % similar 4,6-Dichloro-2-methyl-5-pyrimidinamine39906-04-244 % similar 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-135 % similar 5-Amino-4,6-dichloropyrimidine5413-85-433 % similar 2-(((3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol376608-74-133 % similar 2,6-Dichloro-3,4-pyridinediamine101079-63-432 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-931 % similar 2,4,5-Triamino-6-chloropyrimidine hydrochloride155824-29-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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