4-Methyl-2-pyrimidinamine

Basic Information

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CAS Number

108-52-1

Molecular Formula

C5H7N3

Molecular Weight

109.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

156.0 to 161.0 deg-C

Boiling Point

194.6°C (rough estimate)

Flash Point

149.9℃

Refractive Index

1.5340 (estimate)

SMILES

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CC1=NC(=NC=C1)N

InChI

InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)

InChIKey

GHCFWKFREBNSPC-UHFFFAOYSA-N

LogP

0.36722

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

74.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

SCHEMBL91470
Z104500640
MB00179
UNII-ZEQ6ZS0OOC
STR00700
2-Pyrimidinamine, 4-methyl-
AI3-08091
4-Methyl-2-pyrimidinamine #
Q48937495
SCHEMBL16218788
AKOS000119513
5-25-10-00160 (Beilstein Handbook Reference)
BS-3735
MFCD00006101
NSC1939
InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8
4-methyl-pyrimidin-2-ylamine
108-52-1
NSC 1939
4-methyl-2-pyrimidinylamine
EINECS 203-591-5
BRN 0108506
(4-methyl-pyrimidin-2-yl)-amine
AC-26662
DTXSID90148349
4-methylpyrimidin-2-amine;2-Amino-4-methylpyrimidine
ZEQ6ZS0OOC
2-AMINO-4-METHYLPYRIMIDINE
CS-W007988
4-Methyl-2-pyrimidinamine
2-amino4-methylpyrimidine

MDL Number

MFCD00006101

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-Methyl-2-pyrimidinamine (CAS: 108-52-1)?

4-Methyl-2-pyrimidinamine is a white crystalline solid with a molecular weight of approximately 107.12 g/mol. It has a solubility of about 0.3 g/100 mL in water and is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It is also prone to thermal decomposition at elevated temperatures.

How is 4-Methyl-2-pyrimidinamine (CAS: 108-52-1) typically synthesized?

4-Methyl-2-pyrimidinamine can be synthesized through the condensation of 4-methylpyrimidine with formaldehyde in the presence of a strong acid catalyst. The reaction is carried out at room temperature and yields up to 85% of the product. The selectivity and yield can be improved by using appropriate reaction conditions and optimizing the catalyst type.

What industries use 4-Methyl-2-pyrimidinamine (CAS: 108-52-1)?

4-Methyl-2-pyrimidinamine is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of antifungal and antiviral drugs. It is also used in the preparation of polymer additives and as a component in the development of sensors and semiconductors.

What precautions should be taken when handling 4-Methyl-2-pyrimidinamine (CAS: 108-52-1)?

Proper personal protective equipment (PPE) should be worn when handling 4-Methyl-2-pyrimidinamine, including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or under a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.