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Basic Information
CAS No.: 2829-59-6
Name: 6-methyl-5-nitro-pyrimidine-2,4-diamine
Molecular Structure:
Molecular Structure of 2829-59-6 (6-methyl-5-nitro-pyrimidine-2,4-diamine)
Formula: C5H7N5O2
Molecular Weight: 169.14
Synonyms: Pyrimidine,2,4-diamino-6-methyl-5-nitro- (6CI,7CI,8CI);2,4-Diamino-5-nitro-6-methylpyrimidine;NSC 73566;6-Methyl-5-nitropyrimidine-2,4-diamine;
Density: 1.558 g/cm3
Boiling Point: 478.5 °C at 760 mmHg
Flash Point: 243.2 °C
PSA: 123.64000
LogP: 1.54320
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Specification

The 2,4-Pyrimidinediamine,6-methyl-5-nitro-, with the CAS registry number 2829-59-6, is also known as 2,4-Diamino-5-nitro-6-methylpyrimidine. This chemical's molecular formula is C5H7N5O2 and molecular weight is 169.14. What's more, its systematic name is 6-methyl-5-nitropyrimidine-2,4-diamine.

Physical properties of 2,4-Pyrimidinediamine,6-methyl-5-nitro- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.88; (6)ACD/BCF (pH 7.4): 5.9; (7)ACD/KOC (pH 5.5): 123.52; (8)ACD/KOC (pH 7.4): 123.97; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 78.08 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 42.27 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 16.76×10-24cm3; (17)Surface Tension: 96.6 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 243.2 °C; (20)Enthalpy of Vaporization: 74.26 kJ/mol; (21)Boiling Point: 478.5 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-09 mmHg at 25°C.

Preparation of 2,4-Pyrimidinediamine,6-methyl-5-nitro-: this chemical can be prepared by 4-chloro-6-methyl-5-nitro-pyrimidin-2-ylamine at the temperature of 100 °C. This reaction will need reagent NH3 and solvent ethanol with the reaction time of 4 hours. The yield is about 68%.

2,4-Pyrimidinediamine,6-methyl-5-nitro- can be prepared by 4-chloro-6-methyl-5-nitro-pyrimidin-2-ylamine at the temperature of 100 °C

Uses of 2,4-Pyrimidinediamine,6-methyl-5-nitro-: it can be used to produce 6-methyl-pyrimidine-2,4,5-triamine at the temperature of 100 °C. It will need reagents iron(II) sulphate, H2O, Ba(OH)2 with the reaction time of 20 min. The yield is about 34%.

2,4-Pyrimidinediamine,6-methyl-5-nitro- can be used to produce 6-methyl-pyrimidine-2,4,5-triamine at the temperature of 100 °C

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(nc(nc1C)N)N
(2)InChI: InChI=1S/C5H7N5O2/c1-2-3(10(11)12)4(6)9-5(7)8-2/h1H3,(H4,6,7,8,9)
(3)InChIKey: ULAHPOJYMNCRIF-UHFFFAOYSA-N