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2-Aminopyrimidine

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Name

2-Aminopyrimidine

EINECS 203-648-4
CAS No. 109-12-6 Density 1.216 g/cm3
PSA 51.80000 LogP 0.64000
Solubility soluble in water Melting Point 122-126 °C(lit.)
Formula C4H5N3 Boiling Point 275.1 °C at 760 mmHg
Molecular Weight 95.1038 Flash Point 144.5 °C
Transport Information UN 2811 Appearance white to light yellow powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 109-12-6 (2-Aminopyrimidine) Hazard Symbols IrritantXi
Synonyms

pyrimidin-2-amine;2-Pyrimidiylamine;Pyrimidine, 2-amino-;2-Pyrimidinamine;2-Amino-pyrimidine;pyrimidin-2-ylamine;

Article Data 71

2-Aminopyrimidine Synthetic route

542-78-9

Malondialdehyde

109-12-6

2-aminopyrimidine

Conditions
ConditionsYield
97%
4595-60-2

2-bromopyrimidine

109-12-6

2-aminopyrimidine

Conditions
ConditionsYield
With copper(I) oxide; potassium carbonate; ammonium hydroxide; N,N-dimethylethylenediamine In ethylene glycol at 60℃; for 16h; Inert atmosphere;94%
79917-54-7

nitro-pyrimidine

109-12-6

2-aminopyrimidine

Conditions
ConditionsYield
With triethylamine In water at 80℃; for 8h; Inert atmosphere; Green chemistry; chemoselective reaction;90%
With sodium tetrahydroborate In methanol; water at 40℃; for 0.5h; Green chemistry;
1722-12-9

2-chloropyrimidine

51689-86-2

O-potassio-2,4-dimethyl-3-pentanone

A

109-12-6

2-aminopyrimidine

B

75782-24-0

2,4-Dimethyl-2-pyrimidin-2-yl-pentan-3-one

C

75782-25-1

2-(2-chloropyrimidin-4-yl)-2,4-dimethyl-3-pentanone

Conditions
ConditionsYield
With ammonia In diethyl ether for 0.25h; Product distribution; Mechanism; Irradiation; effect of inhibitor (di-tert-butyl-nitroxide) and exclusion of light;A 4%
B 88%
C n/a
1722-12-9

2-chloropyrimidine

109-12-6

2-aminopyrimidine

Conditions
ConditionsYield
With potassium amide In diethyl ether; ammonia for 0.25h; exclusion of light;88%
With ammonia at 20℃; Kinetics;
With ammonia at 80℃; under 67506.8 Torr; Kinetics; Temperature;
3167-50-8

2-amino-pyrimidine-5-carboxylic acid

109-12-6

2-aminopyrimidine

Conditions
ConditionsYield
for 3h; Heating;74%
275-03-6

tetrazolo[1,5-a]pyrimidine

71-43-2

benzene

A

109-12-6

2-aminopyrimidine

B

57356-49-7

phenyl-pyrimidin-2-yl-amine

C

92-52-4

biphenyl

Conditions
ConditionsYield
With trifluoroacetic acid at 25℃; for 8h; Irradiation;A 11%
B 66%
C n/a
With trifluoroacetic acid at 25℃; for 8h; Product distribution; with/without heavy-atom solvent (CH2CCl2, CH2Br2); other solvent; other reag; other temp.;A 11%
B 66%
C n/a
1722-12-9

2-chloropyrimidine

128190-66-9, 25088-58-8

potassium enolate of acetone

A

109-12-6

2-aminopyrimidine

B

75782-22-8

1-(2-pyrimidinyl)-2-propanone

Conditions
ConditionsYield
With ammonia In diethyl ether for 0.25h; Mechanism; Product distribution; Irradiation; effect of inhibitor (di-tert-butyl-nitroxide) and exclusion of light;A 4%
B 61%
191487-39-5

pyrimidin-2-yl-carbamic acid benzyl ester

A

109-12-6

2-aminopyrimidine

B

108-53-2

isocytosine

C

(6-Oxo-1,6-dihydro-pyrimidin-2-yl)-carbamic acid benzyl ester

Conditions
ConditionsYield
With Rhodococcus erythropolis DSM 6138 In ethanol for 16h;A n/a
B n/a
C 58%
110526-12-0

2-(N-sulphinylamino)pyrimidine

1165952-91-9

cyclohexa-1,3-diene

A

109-12-6

2-aminopyrimidine

(endo)-3-(2-pyrimidinyl)-2λ4-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide

exo-3-(2-pyrimidinyl)-2λ4-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide

Conditions
ConditionsYield
In tetrahydrofuran at -75℃; for 22h; hetero-Diels-Alder reaction;A n/a
B 14%
C 51%

2-Aminopyrimidine Consensus Reports

Reported in EPA TSCA Inventory.

2-Aminopyrimidine Specification

The 2-Aminopyrimidine, with the CAS registry number 109-12-6 and EINECS registry number 203-648-4, has the systematic name of pyrimidin-2-amine. And the molecular formula of this chemical is C4H5N3. It is a kind of white to light yellow powder, and belongs to the following product categories: Pyrimidine; Fine chemical & intermediates; APIs & Intermediate; Amines; Nucleic acids.

Physical properties about 2-Aminopyrimidine are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.68; (8)ACD/KOC (pH 7.4): 18.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 26.67 cm3; (15)Molar Volume: 78.1 cm3; (16)Polarizability: 10.57×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 51.35 kJ/mol; (21)Boiling Point: 275.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00521 mmHg at 25°C.

Preparation and uses of 2-Aminopyrimidine: It can be prepared by from Mucochloric acid and guanidine nitrate via cyclization, decarboxylation and dechlorination. What's more, it is often used in the biochemical study and organic systhesis. 

Chemical reaction: It is used in the synthesis of other chemicals. For example, it can react with hexane-2,5-dione to produce 2-(2,5-dimethyl-pyrrol-1-yl)-pyrimidine. The reaction time is 24 hours with temperature of 100°C, and the yield is about 36%.

2-Aminopyrimidine can react with hexane-2,5-dione to produce 2-(2,5-dimethyl-pyrrol-1-yl)-pyrimidine
 
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1)N
(2)InChI: InChI=1/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
(3)InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYAJ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 790mg/kg (790mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 211, Pg. 367, 1950.

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