2,5-Dichloro-N-(2-(isopropylthio)phenyl)pyrimidin-4-amine

C₁₃H₁₃Cl₂N₃SCAS 1632485-14-3314.23 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Sulfide

Properties

Molecular formula: C₁₃H₁₃Cl₂N₃S
Molar mass: 314.23 g/mol
Exact mass: 313.0207 Da
logP: 5.03Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

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

1632485-14-3

SMILES

CC(C)SC1=CC=CC=C1NC2=NC(=NC=C2Cl)Cl

InChIKey

XBNWAVDIFJHCOK-UHFFFAOYSA-N

InChI

InChI=1S/C13H13Cl2N3S/c1-8(2)19-11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)

Weigh it out

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

Names and synonyms

1 names

2,5-Dichloro-N-[2-[(1-methylethyl)thio]phenyl]-4-pyrimidinamine

Work with 2,5-Dichloro-N-(2-(isopropylthio)phenyl)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

(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide1197953-49-356 % similar 2,4,5-Trichloropyrimidine5750-76-532 % similar 2,5-Dichloropyrimidin-4-amine89180-51-830 % similar Phenothiazine92-84-230 % similar 2-((5-Chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide761437-28-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook