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4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine , CAS No.314039-40-2

COA

Cas Number: 314039-40-2
Molecular Weight: 309.4
PubChem CID: 777317

In stock

Item Number

T668504

Grouped product items
SKU	Size	Availability	Price	Qty
T668504-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
T668504-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine \| 4,6,8-trimethyl-N-(4,6,6-trimethyl-1,6-dihydropyrimidin-2-yl)quinazolin-2-amine \| TimTec1_006551 \| MLS000766009 \| BDBM196138 \| HMS1552J17 \| HMS2694C15 \| DNDI1395216 \| STK095

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Quinazolines
        Level6 Quinazolinamines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Quinazolines
Direct Parent	Quinazolinamines
Alternative Parents	Aminopyrimidines and derivatives Hydropyrimidines Benzenoids Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazolinamine - Aminopyrimidine - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Guanidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This 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
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)

STAT3 Tchem Signal transducer and activator of transcription 3 (1 Activities)

Discover Target: STAT3

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

Names and Identifiers

IUPAC Name	4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
INCHI	InChI=1S/C18H23N5/c1-10-7-11(2)15-14(8-10)13(4)20-16(21-15)22-17-19-12(3)9-18(5,6)23-17/h7-9H,1-6H3,(H2,19,20,21,22,23)
InChIKey	NXZXRPKKYIPBNO-UHFFFAOYSA-N
Smiles	CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(C=C(N3)C)(C)C)C)C
Isomeric SMILES	CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(C=C(N3)C)(C)C)C)C
Molecular Weight	309.4
Reaxy-Rn	19528632
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19528632&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	309.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	309.195 Da
Monoisotopic Mass	309.195 Da
Topological Polar Surface Area	62.200 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	510.000
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

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