N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide

Basic Information

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CAS Number

1191911-26-8

Molecular Formula

C22H25FN6O4S

Molecular Weight

488.55 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F

InChI

InChI=1S/C22H25FN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)

InChIKey

XXHHOTZUJIXPJX-UHFFFAOYSA-N

LogP

3.319600000000001

Topological Polar Surface Area

117.70999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

737

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

N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide
CZC25146
CZC-25146
N-(2-(5-fluoro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)phenyl)methanesulfonamide
N-[2-[[5-Fluoro-2-[[2-methoxy-4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]methanesulfonamide
HMS3750G09
N-{2-[(5-FLUORO-2-{[2-METHOXY-4-(MORPHOLIN-4-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANESULFONAMIDE
1191911-26-8
CHEMBL2397014
BDBM50436423
HY-15800A
AKOS027446725
czc-25146
J-690054
s2002
SCHEMBL1460628
CZC 25146
EX-A1072
N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
N-(2-((5-Fluoro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide
MFCD28160475
A910348
CS-3207
n-(2-(5-fluoro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)phenyl)methanesulfonamide
BS-14462
NCGC00390608-01
AC-36138
BCP14116

MDL Number

MFCD28160475

FAQ

What are the physical and chemical properties of N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide (CAS: 1191911-26-8)?

N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide is a crystalline solid with a molecular weight of approximately 551.4 g/mol. It has a solubility of 1.3 g/L in water and is highly reactive towards nucleophiles. This compound shows good stability under neutral and slightly acidic conditions but may degrade under basic conditions.

How is N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide (CAS: 1191911-26-8) typically synthesized?

N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide is typically synthesized through a multi-step process involving the coupling of 5-fluoropyrimidine with a morpholine derivative, followed by the introduction of the methoxyphenyl moiety and sulfonamidation. The reaction is catalyzed by a suitable organic base and proceeds with high selectivity and good yield.

What industries use N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide (CAS: 1191911-26-8)?

N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It may also find applications in the polymer industry for its functional groups, and in the development of sensors and semiconductors due to its chemical reactivity.

What precautions should be taken when handling N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide (CAS: 1191911-26-8)?

When handling N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate absorbents and following proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.