2(1H)-Pyrimidinimine

Basic Information

View in Editor

CAS Number

109-12-6

Molecular Formula

C4H5N3

Molecular Weight

95.1 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

122-126 °C

Boiling Point

158 ºC (186 mmHg)

Flash Point

103 ºC

Refractive Index

1.5200 (estimate)

SMILES

View in Editor

C1=CN=C(N=C1)N

InChI

InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)

InChIKey

LJXQPZWIHJMPQQ-UHFFFAOYSA-N

LogP

0.05880000000000002

pKa

3.45(at 20℃)

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

48.9

Safety Information

View Safety Information

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

Pyrimidine, 2-amino-
2-AMINOPYRIMIDINE
MFCD00006089
2-Aminopyrimidine, 97%
PYRIMIDINE, 1,2-DIHYDRO-2-IMINO-
pyrimidine-2-amine
EINECS 203-648-4
BDBM50354823
2(1H)-Pyrimidinimine, (E)- (9CI)
Q-200239
AI3-24128
A0412
SULFADIAZINE IMPURITY A [EP IMPURITY]
CHEBI:38618
551920-04-8
MB00175
NSC-1912
Sulfadiazine impurity A, European Pharmacopoeia (EP) Reference Standard
F3329-0410
AKOS000119323
Aminopyrimidine
HY-41340
109-12-6
iminopyrimidine
2(1H)-Pyrimidinimine (9CI)
176773-05-0
pyrimidyl amine
1,2-Dihydro-2-iminopyrimidine
2-Pyridiylamine
A801969
2-amino pyrimidine

MDL Number

MFCD00006089

Customs Code

2933599090

FAQ

What is 2(1H)-Pyrimidinimine (CAS: 109-12-6)?

2(1H)-Pyrimidinimine (CAS: 109-12-6) is a heterocyclic organic compound with the chemical formula C4H5N3. It is a derivative of pyrimidine, characterized by an imine group (-NH-) at the 2-position. This compound is commonly used as an intermediate in chemical synthesis and exhibits stability under standard conditions. Its structure is crucial in pharmaceutical and research applications due to its reactivity and functional versatility.

What are the main uses of 2(1H)-Pyrimidinimine (CAS: 109-12-6)?

2(1H)-Pyrimidinimine (CAS: 109-12-6) is primarily used in pharmaceuticals as a building block for drug development, particularly in compounds targeting metabolic disorders. It also serves industrial applications in the production of dyes and pesticides. In research, it is valued for its role in synthesizing nucleotide analogs and organic molecules. Its versatility makes it a key reagent in chemical innovation and biochemistry studies.

Is 2(1H)-Pyrimidinimine (CAS: 109-12-6) safe?

2(1H)-Pyrimidinimine (CAS: 109-12-6) is generally considered safe when handled properly, but it requires attention to chemical safety protocols. Limited toxicity data suggests it is low risk, though protective measures like gloves, goggles, and ventilation are recommended. Always follow OSHA guidelines and consult safety data sheets (SDS) for safe handling and exposure limits.

How should 2(1H)-Pyrimidinimine (CAS: 109-12-6) be stored?

2(1H)-Pyrimidinimine (CAS: 109-12-6) should be stored in a cool, dry place (ideally 2-8°C), protected from light and moisture. Use airtight, sealed containers to maintain stability and prevent degradation. Ensure storage areas are well-ventilated and keep the compound away from incompatible materials to maintain chemical safety and prolong shelf life.