4-Amino-5-(bromomethyl)-2-methylpyrimidine dihydrobromide , CAS No.5423-98-3

CAS: 5423-98-3 Cat. No.: A275513 Molecular Weight: 363.88 PubChem CID: 5253159
AVAILABLE TO ORDER
Synonyms
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidi
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
A275513-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$270.90
500mg
A275513-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,447.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms
N-(2, 3-dihydro-1, 4-benzodioxin-3-ylmethyl)-5, 6-dimethyl-thieno[2, 3-d]pyrimidin-4-amine | N-(2, 3-dihydro-1, 4-benzodioxin-3-ylmethyl)-5, 6-dimethylthieno[2, 3-d]pyrimidin-4-amine | N-[(2, 3-dihydro-1, 4-benzodioxin-2-yl)methyl]-5, 6-dimethylthieno[2, 3-d]pyrimidi
Biochemical and Physiological Mechanisms
Biological description': "'Pyrimidine derivative.\xa0Potential G protein-coupled receptor kinase (GRK) inhibitor.
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Names and Identifiers
Canonical SmilesCC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
InChIKeyWXGIXNLIJQWFLG-UHFFFAOYSA-N
INCHI1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
Isomeric SMILES CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C
PubChem CID 5253159
Molecular Weight 363.88

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzodioxanes
SubclassBenzo-1,4-dioxanes
Intermediate Tree Nodes Not available
Direct ParentBenzo-1,4-dioxanes
Alternative Parents Thienopyrimidines  Secondary alkylarylamines  Aminopyrimidines and derivatives  Alkyl aryl ethers  Para dioxins  Imidolactams  Benzenoids  Thiophenes  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzo-1,4-dioxane - Thienopyrimidine - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Para-dioxin - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Ether - Oxacycle - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLI1 Tchem Zinc finger protein GLI1 (201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alpha trans-inducing protein (VP16) (945 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wnt3a Protein Wnt-3a (429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMP1 Latent membrane protein 1 (726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight327.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass327.104 Da
Monoisotopic Mass327.104 Da
Topological Polar Surface Area84.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity413.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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