6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine , CAS No.205195-05-7

CAS: 205195-05-7 Cat. No.: D668920 Molecular Weight: 349.31 PubChem CID: 5328202
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Synonyms
6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine | 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine | BDBM3534 | KEQCEKUDWPXRRQ-UHFFFAOYSA-N
Storage
Room temperature
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1mg
D668920-1mg
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$571.90

$999.90
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5mg
D668920-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
6, 7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine | 6, 7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine | BDBM3534 | KEQCEKUDWPXRRQ-UHFFFAOYSA-N
Storage
Room temperature
Product Properties
ALogP4.2
Names and Identifiers
Canonical SmilesCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)OC
IUPAC Name6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
InChIKeyKEQCEKUDWPXRRQ-UHFFFAOYSA-N
INCHI1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
Isomeric SMILES COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)OC
PubChem CID 5328202
Molecular Weight 349.31

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents Trifluoromethylbenzenes  Anisoles  Aniline and substituted anilines  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Secondary amines  Azacyclic compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - Trifluoromethylbenzene - Anisole - Phenol ether - Aniline or substituted anilines - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Secondary amine - Ether - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EGFR Tclin Epidermal growth factor receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Calf thymus DNA (4845 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 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 Weight349.310 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass349.104 Da
Monoisotopic Mass349.104 Da
Topological Polar Surface Area56.300 Ų
Heavy Atom Count25
Formal Charge0
Complexity438.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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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