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4,5-Diaminopyrimidine

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Name

4,5-Diaminopyrimidine

EINECS 237-339-0
CAS No. 13754-19-3 Density 1.368 g/cm3
PSA 77.82000 LogP 0.80340
Solubility N/A Melting Point 204-206 °C(lit.)
Formula C4H6N4 Boiling Point 348.7 °C at 760 mmHg
Molecular Weight 110.118 Flash Point 175.8 °C
Transport Information N/A Appearance Brown crystals
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13754-19-3 (4,5-Diaminopyrimidine) Hazard Symbols N/A
Synonyms

Pyrimidine,4,5-diamino- (6CI,7CI,8CI);Pyrimidine-4,5-diamine;NSC14348;

Article Data 17

4,5-Diaminopyrimidine Synthetic route

14631-08-4

2-chloro-4,5-diaminopyrimidine

13754-19-3

4,5-pyrimidinediamine

4316-98-7

6-chloro-4,5-diaminopyrimidine

13754-19-3

4,5-pyrimidinediamine

Conditions
ConditionsYield
With palladium on activated charcoal; water Hydrogenation;
14623-58-6

4,5-diamino-1H-pyrimidine-2-thione

13754-19-3

4,5-pyrimidinediamine

Conditions
ConditionsYield
With ammonia; water; nickel
1920-66-7

4-amino-2-chloro-5-nitropyrimidine

13754-19-3

4,5-pyrimidinediamine

Conditions
ConditionsYield
With hydrogen iodide at 0℃; anschliessend Behandeln unter Zusatz von Phosphoniumjodid bei 50grad;
16008-45-0

4-amino-5-formamidopyrimidine

A

13754-19-3

4,5-pyrimidinediamine

B

120-73-0

purine

Conditions
ConditionsYield
With sodium hydroxide at 70.1℃; Rate constant; different hydroxide ion concentrations;
16008-45-0

4-amino-5-formamidopyrimidine

A

13754-19-3

4,5-pyrimidinediamine

B

64-18-6

formic acid

C

120-73-0

purine

Conditions
ConditionsYield
With perchloric acid at 90.1℃; Rate constant; Mechanism; Thermodynamic data; prod. yield/prod. distrib.; other temperatures, other reagent, ΔS(excit.), pH influence, phosphate buffer influence;

(3aR,4R,7R,7aR)-4-(5-Amino-pyrimidin-4-ylamino)-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol

A

13754-19-3

4,5-pyrimidinediamine

Conditions
ConditionsYield
With sodium hydroxide at 60.1℃; Rate constant; different hydroxide ion concentrations;

C8(14)CH14N4O4

A

13754-19-3

4,5-pyrimidinediamine

B

19214-82-5

<1-14C>-D-ribose

Conditions
ConditionsYield
With sodium hydroxide at 70.1℃; Rate constant; Mechanism;
95103-63-2

9-(1-methoxyethyl)purine

A

13754-19-3

4,5-pyrimidinediamine

B

934-33-8

2-methylbenzoimidazole

C

7,8-dihydro-8-methylpurine

Conditions
ConditionsYield
With sodium hydroxide at 70.1℃; Rate constant;

4,5-Diaminopyrimidine Specification

The CAS registry number of 4,5-Pyrimidinediamine is 13754-19-3. With the EINECS registry number 237-339-0, its systematic name is pyrimidine-4,5-diamine. In addition, the molecular formula is C4H6N4 and the molecular weight is 110.12. What's more, it is a diaminopyrimidine and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -1.13; (2)ACD/LogD (pH 5.5): -1.75; (3)ACD/LogD (pH 7.4): -1.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.39; (7)ACD/KOC (pH 7.4): 5.54; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.26 Å2; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 30.9 cm3; (14)Molar Volume: 80.4 cm3; (15)Polarizability: 12.25 ×10-24cm3; (16)Surface Tension: 89.2 dyne/cm; (17)Density: 1.368 g/cm3; (18)Flash Point: 175.8 °C; (19)Enthalpy of Vaporization: 59.31 kJ/mol; (20)Boiling Point: 348.7 °C at 760 mmHg; (21)Vapour Pressure: 4.94E-05 mmHg at 25°C.

Uses of 4,5-Pyrimidinediamine: it can react with N,N'-(1,3-Phenylene)bis(methyldithiocarbamate) to get 8,8'-(1,3-phenylenediamino)dipurine. This reaction will need reagent red mercury(II) oxide and solvent dimethylformamide. The reaction time is 48 hours at reaction temperature of 50 °C. The yield is about 70%.

4,5-Pyrimidinediamine can react with N,N'-(1,3-Phenylene)bis(methyldithiocarbamate) to get 8,8'-(1,3-phenylenediamino)dipurine

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(N)c(nc1)N
(2)Std. InChI: InChI=1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)
(3)Std. InChIKey: PPAULTVPKLVLII-UHFFFAOYSA-N

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