4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine

Basic Information

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CAS Number

602306-29-6

Molecular Formula

C18H21N5O2S

Molecular Weight

371.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Boiling Point

655.2°C at 760 mmHg

Density

1.31

Flash Point

655.2 °C at 760 mmHg

Refractive Index

1.647

SMILES

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CC1=NC=C(N1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)

InChIKey

WJRRGYBTGDJBFX-UHFFFAOYSA-N

LogP

3.376520000000001

Topological Polar Surface Area

89.77000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

556

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

AZD-5438
J-514234
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4- (methylsulfonyl)phenyl)-2-pyrimidinamine
MMV676604
4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine
SR-05000022535
AC-30292
HMS3656B05
NCGC00346617-01
MLS006011033
BCP9000353
DTXSID501025680
BCP02271
s2621
4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(methylsulphonyl)anilino]pyrimidine
4-(1-isopropyl-2-methylimidazol-5-yl)-2-(4-mesylanilino)pyrimidine
HMS3295K15
WJRRGYBTGDJBFX-UHFFFAOYSA-N
SCHEMBL5092360
4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]pyrimidin-2-amine
HMS3750K15
AZD 5438
4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine
276Z913G29
4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
FB8
AMY2766
EX-A069
GTPL8473
UNII-276Z913G29
4-[2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine and N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine

MDL Number

MFCD11112135

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine (CAS: 602306-29-6)?

This compound is a crystalline solid with a molecular weight of approximately 546.67 g/mol. It has low aqueous solubility and moderate solubility in organic solvents. The compound is moderately reactive, showing limited reactivity towards common nucleophiles. It is stable under normal storage conditions but requires protection from moisture and light.

How is 4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine (CAS: 602306-29-6) typically synthesized?

This compound can be synthesized via a multistep reaction involving the coupling of 4-(methylsulfonyl)aniline with 2-bromo-5-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine under palladium-catalyzed conditions. The reaction proceeds with good yield and selectivity under optimized reaction conditions, including the use of Pd(PPh3)4 as a catalyst.

What industries use 4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine (CAS: 602306-29-6)?

This compound finds applications in the pharmaceutical industry for its potential use as a drug intermediate. It may also be used in the development of sensors and semiconductors due to its unique electronic properties. Its use in polymer synthesis and other advanced materials is also under investigation.

What precautions should be taken when handling 4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine (CAS: 602306-29-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and protective clothing. Ensure the use of a fume hood during preparation and handling to avoid inhalation or skin contact. In case of spillage, neutralize the spill with an appropriate acid or base as per the safety data sheet (SDS) and dispose of the waste in accordance with local regulations.