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(1R)-1-(4-((2R,6S)-4-(4,6-Dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl)pyrimidin-2-yl)ethanol , CAS No.300551-49-9

COA

Cas Number: 300551-49-9
Molecular Weight: 343.43
PubChem CID: 10132209

In stock

Item Number

R669074

Grouped product items
SKU	Size	Availability	Price	Qty
R669074-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
R669074-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

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Lipid metabolism (1912)

Basic Description

Synonyms	CP-642931 \| 4Q45INJ6TQ \| Sorbitol dehydrogenase-IN-1 \| UNII-4Q45INJ6TQ \| (1R)-1-(4-((2R,6S)-4-(4,6-Dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl)pyrimidin-2-yl)ethanol \| DTXSID3047267 \| 2-Pyrimidinemethanol, 4-((2R,6S)-4-(4,6-dimethyl-1,3,5-tria

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Dialkylarylamines Aminotriazines Aminopyrimidines and derivatives Imidolactams 1,3,5-triazines Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Amino-1,3,5-triazine - Aminotriazine - Pyrimidine - 1,3,5-triazine - Imidolactam - Triazine - Heteroaromatic compound - Secondary alcohol - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries 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

Associated Targets(Human)

SORD Tchem Sorbitol dehydrogenase (2 Activities)

Discover Target: SORD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SORD Tchem Sorbitol dehydrogenase (133 Activities)

Discover Target: SORD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(1R)-1-[4-[(2S,6R)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
INCHI	InChI=1S/C17H25N7O/c1-10-8-23(17-20-13(4)19-14(5)21-17)9-11(2)24(10)15-6-7-18-16(22-15)12(3)25/h6-7,10-12,25H,8-9H2,1-5H3/t10-,11+,12-/m1/s1
InChIKey	FTEQMUXMWCGJAF-GRYCIOLGSA-N
Smiles	CC1CN(CC(N1C2=NC(=NC=C2)C(C)O)C)C3=NC(=NC(=N3)C)C
Isomeric SMILES	C[C@@H]1CN(C[C@@H](N1C2=NC(=NC=C2)[C@@H](C)O)C)C3=NC(=NC(=N3)C)C
Molecular Weight	343.43

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	343.400 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	343.212 Da
Monoisotopic Mass	343.212 Da
Topological Polar Surface Area	91.200 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	417.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

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