(4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone

Basic Information

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CAS Number

741713-40-6

Molecular Formula

C18H21F2N5O4S

Molecular Weight

441.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.49

SMILES

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COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)

InChIKey

JRNJNYBQQYBCLE-UHFFFAOYSA-N

LogP

1.4124999999999999

Topological Polar Surface Area

127.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

701

Synonyms & References

English

RO-4584820
CS-0022
[4-amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone
DTXSID30225143
MLS006010282
CID 6918852
(4-Amino-2-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyrimidin-5-Yl)(2,3-Difluoro-6-Methoxyphenyl)methanone
DB08094
CCG-269137
HMS3656L13
NCGC00346632-01
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
FT-0687511
R 547
EX-A105
SB19228
NCGC00346632-06
SCHEMBL2397067
BDBM12621
R547, >=98% (HPLC)
MFCD09970629
RG-547
AC-36792
5-[(2,3-difluoro-6-Methoxyphenyl)carbonyl]-2-N-(1-Methanesulfonylpiperidin-4-yl)pyriMidine-2,4-diaMine
AKOS025149095
T61871RKRI
741713-40-6
CHEMBL384304
SW220191-1
4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone
NSC800859

MDL Number

MFCD09970629

FAQ

What regulatory guidelines apply to (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone (CAS: 741713-40-6)?

This compound is subject to various regulatory guidelines including REACH in the European Union, which requires registration of substances above one tonne per year. Additionally, it must comply with GHS classification for chemical hazards and may be regulated by FDA and EPA for specific uses and environmental releases.

Are there alternatives to (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone in synthesis?

Alternative reagents for synthesis include derivatives like 2-(4-amino-5-pyrimidinyl)-6-fluoro-3-methoxybenzamide or similar piperidinyl-containing compounds. These can serve as viable alternatives depending on the specific reaction conditions and desired product properties.

What is the market or research trend for (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone?

Research trends indicate increasing interest in the development of novel antimicrobial agents and anti-inflammatory drugs. Market trends suggest a growing focus on compounds with enhanced efficacy and reduced side effects, driven by the need for more targeted and effective therapeutics.

How should waste containing (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone (CAS: 741713-40-6) be handled?

Waste containing this compound should be collected in appropriate containers and handled according to local hazardous waste regulations. Incineration or professional waste disposal services should be used to ensure safe and environmentally friendly disposal. Special precautions must be taken to prevent release into the environment and ensure worker safety during handling and disposal.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...

Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...

Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...

Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...

Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide

Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...

Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...

Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...

Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

(4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone | CAS No. 741713-40-6

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

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone (CAS: 741713-40-6)?

Are there alternatives to (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone in synthesis?

What is the market or research trend for (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone?

How should waste containing (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone (CAS: 741713-40-6) be handled?

Related Compounds

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What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

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What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

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