4,6-Dimethyl-N-phenyl-2-pyrimidinamine

Basic Information

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CAS Number

53112-28-0

Molecular Formula

C12H13N3

Molecular Weight

199.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

96 ºC

Boiling Point

362.8 °C at 760 mmHg

Density

1.15

Water Solubility

0.121 g/L (25 ºC)

Flash Point

173.2 °C

Refractive Index

1.622

SMILES

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Cc1cc(C)nc(Nc2ccccc2)n1

InChI

InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)

InChIKey

ZLIBICFPKPWGIZ-UHFFFAOYSA-N

LogP

2.837040000000001

Topological Polar Surface Area

37.81 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

179

Safety Information

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GHS Hazard Pictograms

H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 (mg/kg): 4061-5358 orally in mice; 4150-5971 orally in rats; >5000 dermally in rats; LC50 (96 hr) in mirror carp, rainbow trout (mg/l): 35.36, 10.56 (Neumann)

Synonyms & References

English

4,6-Dimethyl-N-phenyl-2-pyrimidinamine
N-(4,6-dimethylpyrimidin-2-yl)aniline
Pyrimethanil
4,6-dimethyl-N-phenylpyrimidin-2-amine
Pyrimethanil Solution
2-anilino-4,6-dimethylpyrimidine
2-Pyrimidinamine,4,6-dimethyl-N-phenyl
4,6-dimethyl-n-phenyl-2-pyrimidinamin
4,6-dimethylpyrimidine-N-phenylimine
Pyrimethanil [ISO]
2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-
6IA5HP6C8Z
ZLIBICFPKPWGIZ-UHFFFAOYSA-N
4,6-dimethyl-N-phenyl-pyrimidin-2-amine
Dynmethanil
Mythos
Scala
Pyrimethanil, BSI
Peakdale1_000145
DSSTox_RID_79216
DSSTox_CID_14877
DSSTox_GSID_34877

MDL Number

MFCD00172113

Customs Code

2942000000

FAQ

What is 4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0)?

4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) is a pyrimidine derivative with the chemical formula C13H13N3. It appears as a white crystalline solid and is characterized by its aromatic ring system, featuring two methyl groups at positions 4 and 6, and a phenyl group attached to the nitrogen at position 2. This compound is commonly used in organic synthesis due to its structural versatility and reactivity.

What are the main uses of 4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0)?

4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) serves as a key intermediate in pharmaceutical research, particularly in the development of antiviral and antibiotic drugs. It is also utilized in industrial applications such as the synthesis of dyes, agrochemicals, and materials. Additionally, it plays a role in organic chemistry studies for functional group modifications and molecular design.

Is 4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) safe?

4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) is generally considered safe when handled properly, but it requires caution due to potential toxicity. Prolonged exposure may irritate the skin or respiratory system. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in a well-ventilated area. Always follow OSHA guidelines for chemical handling.

How should 4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) be stored?

4,6-Dimethyl-N-phenyl-2-pyrimidinamine (CAS: 53112-28-0) should be stored in a cool, dry place away from direct light. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. It is stable under normal storage conditions but should be protected from air and humidity to maintain its chemical integrity. Store in a well-ventilated area as per safety protocols.