N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide

Basic Information

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CAS Number

147118-37-4

Molecular Formula

C16H18FN3O3S

Molecular Weight

351.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Basic Physical Properties

Physical State

Powder

Melting Point

178.0 to 182.0 deg-C

Boiling Point

536.594°C at 760 mmHg

SMILES

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CC(C)C1=NC(=NC(=C1C=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

InChI

InChI=1S/C16H18FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-10H,1-4H3

InChIKey

WOCOTUDOVSLFOB-UHFFFAOYSA-N

LogP

2.6144000000000007

Topological Polar Surface Area

80.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

529

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-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
F0867
MFCD08458342
C16H18FN3O3S
N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide
CS-W011866
SCHEMBL13538
N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methyl-methanesulfonamide
EN300-1704500
DS-13681
4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxaldehyde
FT-0658211
N-[4-(4-fluorophenyl)-5-formyl-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
AC-446
Z3234883815
AKOS015896174
Cyclo(pro-phe-thr-lys(Z)-trp-phe)
N-[4-(4-fluorophenyl)-5-formyl-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide
Z 008
4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-methyleneoxide
DTXSID50440553
147118-37-4
A24788
4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylSulfonylamino)pyrimidine-5-carboxaldehyde
AC7788
WOCOTUDOVSLFOB-UHFFFAOYSA-N
Cyclo(-D-pro(1)-phe(2)-thr(3)-lys(4)(Z)-trp(5)-phe(6)-)
J-513516
4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carbaldehyde
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl
N-(4-(4-Fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide

MDL Number

MFCD08458342

Customs Code

2935009090

FAQ

What is N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4)?

N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide is a synthetic organic compound with the CAS number 147118-37-4. It is characterized by its complex structure, which includes a pyrimidine ring substituted with a 4-fluorophenyl group, a formyl group, and an isopropyl group. The compound is typically a white solid with a high molecular weight and exhibits good solubility in polar solvents. It is often used in research and pharmaceutical development due to its potential biological activity.

What are the main uses of N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4)?

N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4) is primarily used in pharmaceutical research as a potential lead compound for drug development. It may also find applications in organic synthesis and as an intermediate in the production of various chemical compounds. Due to its structural complexity, it is of interest in the study of biochemical pathways and receptor interactions.

Is N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4) safe?

N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4) is generally considered safe when handled properly in controlled laboratory conditions. However, as with many chemical compounds, it should be used with caution, following standard safety protocols. Protective equipment such as gloves, goggles, and a fume hood is recommended to minimize exposure. It is important to consult safety data sheets (SDS) for detailed information on toxicity and handling.

How should N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4) be stored?

N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide (CAS: 147118-37-4) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a tightly sealed container to prevent moisture and air exposure. Storage at temperatures below 25°C is optimal, and it should be protected from light to avoid degradation. Always store away from incompatible substances and follow proper labeling guidelines.