Skip to the beginning of the images gallery

4-Hydroxy-2-isopropylamino-6-(trifluoromethyl)pyrimidine - 90%, high purity , CAS No.339011-06-2

COA

Grade & Purity:

≥90%

Cas Number: 339011-06-2
Molecular Weight: 221.2
MDL number: MFCD00172056
PubChem CID: 135410011

In stock

Item Number

I300778

Grouped product items
SKU	Size	Availability	Price	Qty
I300778-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$584.90
I300778-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,060.90

Basic Description

Synonyms	339011-06-2 \| 4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine \| 2-(isopropylamino)-6-(trifluoromethyl)-4-pyrimidinol \| 7G-337S \| 2-[(propan-2-yl)amino]-6-(trifluoromethyl)pyrimidin-4-ol \| 2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one \| 2-(Iso
Specifications & Purity	≥90%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidones
Alternative Parents	Secondary alkylarylamines Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary amine - Azacycle - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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

IUPAC Name	2-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
INCHI	InChI=1S/C8H10F3N3O/c1-4(2)12-7-13-5(8(9,10)11)3-6(15)14-7/h3-4H,1-2H3,(H2,12,13,14,15)
InChIKey	AVJAKWJFALXZDS-UHFFFAOYSA-N
Smiles	CC(C)NC1=NC(=CC(=O)N1)C(F)(F)F
Isomeric SMILES	CC(C)NC1=NC(=CC(=O)N1)C(F)(F)F
PubChem CID	135410011
Molecular Weight	221.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.180 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	221.078 Da
Monoisotopic Mass	221.078 Da
Topological Polar Surface Area	53.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	331.000
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