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2,4-Pyrimidinediamine,6-methoxy- (3270-97-1)

Identification
Name:2,4-Pyrimidinediamine,6-methoxy-
Synonyms:Pyrimidine,2,4-diamino-6-methoxy- (6CI,7CI,8CI);2,4-Diamino-6-methoxypyrimidine;
CAS:3270-97-1
Molecular Formula: C5H8N4O
Molecular Weight: 140.14
Molecular Structure: (C5H8N4O) Pyrimidine,2,4-diamino-6-methoxy- (6CI,7CI,8CI);2,4-Diamino-6-methoxypyrimidine;
Properties
Flash Point: 213.5°C
Boiling Point: 429.4°Cat760mmHg
Density:1.341g/cm3
Specification:

The cas register number of 2,6-Diamino-4-methoxypyrimidine is 3270-97-1. It also can be called as 2,4-Pyrimidinediamine,6-methoxy- and the Systematic name about this chemical is 6-methoxypyrimidine-2,4-diamine. It belongs to the Pyrimidine.

Physical properties about 2,6-Diamino-4-methoxypyrimidine are: (1)ACD/LogP: -0.74; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.29; (5)ACD/KOC (pH 7.4): 9.3; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 41.49Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 37.58 cm3; (12)Molar Volume: 104.4 cm3; (13)Polarizability: 14.9x0-24cm3; (14)Surface Tension: 71.6 dyne/cm; (15)Enthalpy of Vaporization: 68.46 kJ/mol; (16)Boiling Point: 429.4 °C at 760 mmHg; (17)Vapour Pressure: 1.41E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(nc(N)c1)N)C
(2)InChI: InChI=1/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
(3)InChIKey: OSBMJXWHJWWZJP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H8N4O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)
(5)Std. InChIKey: OSBMJXWHJWWZJP-UHFFFAOYSA-N

Flash Point: 213.5°C
Safety Data
 

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