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2,5-Diamino-4,6-dihydroxy-pyrimidine

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Name

2,5-Diamino-4,6-dihydroxy-pyrimidine

EINECS N/A
CAS No. 40769-69-5 Density 2.15 g/cm3
PSA 118.28000 LogP 1.01660
Solubility N/A Melting Point > 250oC
Formula C4H6N4O2 Boiling Point 524.2 °C at 760 mmHg
Molecular Weight 142.117 Flash Point 270.9 °C
Transport Information N/A Appearance Yellow to pink powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40769-69-5 (2,5-Diamino-4,6-dihydroxy-pyrimidine) Hazard Symbols IrritantXi
Synonyms

4(1H)-Pyrimidinone,2,5-diamino-6-hydroxy- (9CI);4,6-Pyrimidinediol, 2,5-diamino- (6CI,7CI);2,5-Diamino-4,6-dihydroxypyrimidine;2,5-Diaminopyrimidine-4,6-diol;4,6-Dihydroxy-2,5-diaminopyrimidine;

 

2,5-Diamino-4,6-dihydroxy-pyrimidine Specification

The 2,5-Diamino-4,6-dihydroxy-pyrimidine, with the CAS registry number 40769-69-5, is also known as 2,5-Diamino-6-hydroxy-4(3H)-pyrimidinone. It belongs to the product categories of Starting Raw Materials & Intermediates; APIs & Intermediate; Pyrimidine. This chemical's molecular formula is C4H6N4O2 and molecular weight is 142.12. What's more, its IUPAC name is called 2,5-Diamino-4-hydroxy-1H-pyrimidin-6-one.

Physical properties about 2,5-Diamino-4,6-dihydroxy-pyrimidine are: (1)ACD/LogP: -2.645; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.06; (4)ACD/LogD (pH 7.4): -3.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10) #H bond donors: 6; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 113.73 Å2; (13)Index of Refraction: 1.877; (14)Molar Refractivity: 30.067 cm3; (15)Molar Volume: 65.806 cm3; (16)Polarizability: 11.919×10-24cm3; (17)Surface Tension: 123.040 dyne/cm; (18)Density: 2.16 g/cm3; (19)Flash Point: 270.9 °C; (20)Enthalpy of Vaporization: 82.81 kJ/mol; (21)Boiling Point: 524.2 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-11 mmHg at 25 °C.

Uses of 2,5-Diamino-4,6-dihydroxy-pyrimidine: it is used to produce other chemicals. For example, it can react with benzoyl chloride to get 5-benzoylamino-2-aminopyrimidine-4,6-diol. This reaction needs reagent pyridine at ambient temperature. The reaction time is 2 hours. The yield is 56 %.

2,5-Diamino-4,6-dihydroxy-pyrimidine can react with benzoyl chloride to get 5-benzoylamino-2-aminopyrimidine-4,6-diol.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(/N)=C(/O)\N=C(\N)N1
(2) InChI: InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
(3) InChIKey: HWSJQFCTYLBBOF-UHFFFAOYSA-N

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