Skip to the beginning of the images gallery

6-Chloro-N-(1-methylethyl)-2-(methylthio)-4-pyrimidinamine - 98%, high purity , CAS No.951884-54-1

COA

Grade & Purity:

≥98%

Cas Number: 951884-54-1
Molecular Weight: 217.7
PubChem CID: 26370202
PubChem SID: 488200803

In stock

Item Number

C188606

Grouped product items
SKU	Size	Availability	Price
C188606-1g	1g	9	$44.90
C188606-5g	5g	1	$149.90
C188606-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$461.90

Basic Description

Synonyms	951884-54-1 \| 4-Chloro-6-isopropylamino-2-methylthiopyrimidine \| 6-Chloro-N-isopropyl-2-(methylthio)pyrimidin-4-amine \| (6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-isopropyl-amine \| 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine \| 6-Chloro-2-(methylsulfany
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Halopyrimidines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488200803
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200803
IUPAC Name	6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
INCHI	InChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12)
InChIKey	UFIHRHMWSNBGPR-UHFFFAOYSA-N
Smiles	CC(C)NC1=CC(=NC(=N1)SC)Cl
Isomeric SMILES	CC(C)NC1=CC(=NC(=N1)SC)Cl
Molecular Weight	217.7
Reaxy-Rn	46342681
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46342681&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
I1803181	Certificate of Analysis	Apr 10, 2024	C188606
I1803182	Certificate of Analysis	Apr 07, 2024	C188606
C23301045	Certificate of Analysis	Apr 11, 2023	C188606

Chemical and Physical Properties

Molecular Weight	217.720 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	217.044 Da
Monoisotopic Mass	217.044 Da
Topological Polar Surface Area	63.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration