2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide

Basic Information

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CAS Number

761437-28-9

Molecular Formula

C23H25ClN6O3

Molecular Weight

468.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.349

SMILES

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CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC

InChI

InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)

InChIKey

UYJNQQDJUOUFQJ-UHFFFAOYSA-N

LogP

3.8220000000000027

Topological Polar Surface Area

100.64 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

625

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Q27096680
HY-13203
2-({5-Chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-N-methylbenzamide
CCG-269438
A865545
GTPL9382
2-((5-Chloro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide
FT-0700360
AKOS016004135
NVP-TAE 226,CAS:761437-28-9
TAE-226
2-({5-Chloro-2-[2-methoxy-4-(4-morpholinyl)anilino]-4-pyrimidinyl}amino)-N-methylbenzamide
HMS3672E03
NVP-TAE226
SB19397
CHEMBL458997
DTXSID90433025
SCHEMBL375524
J-690348
NSC-787252
HMS3747C09
BDBM50334594
NS00071616
AC-27408
CTx0152960
NSC787252
HMS3656L12
2jkk
EX-A716
2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide
2-((5-CHLORO-2-((2-METHOXY-4-MORPHOLINOPHENYL)-AMINO)PYRIMIDIN-4-YL)AMINO)-N-METHYLBENZAMIDE

MDL Number

MFCD12031516

FAQ

What are the physical and chemical properties of 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

This compound is a white to off-white solid with a molecular weight of approximately 536.9 g/mol. It is slightly soluble in water but more soluble in organic solvents like DMSO and DMF. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is not flammable but may decompose under strong heat conditions.

How is 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9) typically synthesized?

The compound is synthesized via a multi-step process involving the coupling of a pyrimidine derivative with a morpholine-containing aromatic amine. The key steps include nucleophilic aromatic substitution and amidation reactions, yielding a high yield with good selectivity. Catalysts such as EDC and HOBT are commonly used.

What industries use 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

This compound is primarily used in the pharmaceutical industry for its potential as an anti-inflammatory agent. It is also explored in sensor and semiconductor applications due to its chemical stability and reactivity.

What precautions should be taken when handling 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood. Avoid contact with skin and eyes. In case of spill, sweep up and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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Compound Q&A

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2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide | CAS No. 761437-28-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Density

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

How is 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9) typically synthesized?

What industries use 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

What precautions should be taken when handling 2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-methylbenzamide (CAS: 761437-28-9)?

Related Compounds

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