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CAS No.: | 35733-53-0 |
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Name: | 5-Amino-2,6-dimethylpyrimidine |
Molecular Structure: | |
Formula: | C6H9N3 |
Molecular Weight: | 123.158 |
Synonyms: | Pyrimidine,5-amino-2,4-dimethyl- (8CI);5-Amino-2,4-dimethylpyrimidine;5-Amino-2,6-dimethylpyrimidine; |
EINECS: | 1533716-785-6 |
Density: | 1.112g/cm3 |
Melting Point: | 107-108°C |
Boiling Point: | 235.9 °C at 760 mmHg |
Flash Point: | 119.4 °C |
PSA: | 51.80000 |
LogP: | 1.25680 |
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The 2,4-Dimethyl-5-pyrimidinamine, with CAS registry number 35733-53-0, belongs to the following product categories: (1)Pyrimidine; (2)Pharmacetical. It has the systematic name of 2,4-dimethylpyrimidin-5-amine. Besides this, it is also called 5-Amino-2,6-dimethylpyrimidine. And the chemical formula of this chemical is C6H9N3.
Physical properties of 2,4-Dimethyl-5-pyrimidinamine: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.78; (5)ACD/KOC (pH 7.4): 7.99; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.8 Å2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 36.32 cm3; (12)Molar Volume: 110.7 cm3; (13)Polarizability: 14.39×10-24cm3; (14)Surface Tension: 51.5 dyne/cm; (15)Density: 1.112 g/cm3; (16)Flash Point: 119.4 °C; (17)Enthalpy of Vaporization: 47.26 kJ/mol; (18)Boiling Point: 235.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0489 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(C)nc1C
(2)InChI: InChI=1/C6H9N3/c1-4-6(7)3-8-5(2)9-4/h3H,7H2,1-2H3
(3)InChIKey: TULVCIOMQCBNRL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H9N3/c1-4-6(7)3-8-5(2)9-4/h3H,7H2,1-2H3
(5)Std. InChIKey: TULVCIOMQCBNRL-UHFFFAOYSA-N