CAS No.109-12-6,2-Aminopyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109-12-6
Name:	2-Aminopyrimidine
Article Data:	71

Formula:	C₄H₅N₃
Molecular Weight:	95.1038
Synonyms:	pyrimidin-2-amine;2-Pyrimidiylamine;Pyrimidine, 2-amino-;2-Pyrimidinamine;2-Amino-pyrimidine;pyrimidin-2-ylamine;
EINECS:	203-648-4
Density:	1.216 g/cm³
Melting Point:	122-126 °C(lit.)
Boiling Point:	275.1 °C at 760 mmHg
Flash Point:	144.5 °C
Solubility:	soluble in water
Appearance:	white to light yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
Transport Information:	UN 2811
PSA:	51.80000
LogP:	0.64000

Synthetic route

: 542-78-9
Malondialdehyde

: 109-12-6
2-aminopyrimidine

Conditions

Conditions	Yield
	97%

: 4595-60-2
2-bromopyrimidine

: 109-12-6
2-aminopyrimidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 1722-12-9
2-chloropyrimidine

: 109-12-6
2-aminopyrimidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 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

Conditions	Yield
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%

...Expand

: 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

Conditions	Yield
With Rhodococcus erythropolis DSM 6138 In ethanol for 16h;	A n/a B n/a C 58%

...Expand

: 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

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

...Expand

Raw Materials

56-05-3

113-00-8

275-03-6

Downstream Products

68-35-9

120-61-6

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Consensus Reports

Reported in EPA TSCA Inventory.

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.