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CAS No.: | 5177-27-5 |
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Name: | 2,4-Dichloro-5-aminopyrimidine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C4H3Cl2N3 |
Molecular Weight: | 163.994 |
Synonyms: | Pyrimidine,5-amino-2,4-dichloro- (6CI,7CI,8CI);2,4-Dichloropyrimidin-5-amine;5-Amino-2,4-dichloropyrimidine;NSC 86381;2,4-dichloropyrimidin-5-amine;2,4-Dichloro-5-pyrimidinamine;5-amino-2,4-dichloropyrimidine;Pyrimidine, 5-amino-2,4-dichloro-;5-Pyrimidinamine, 2,4-dichloro-; |
EINECS: | 664-402-3 |
Density: | 1.606 g/cm3 |
Melting Point: | 108-112ºC |
Boiling Point: | 290.7 °C at 760 mmHg |
Flash Point: | 129.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39-24/25 |
PSA: | 51.80000 |
LogP: | 1.94680 |
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The 2,4-Dichloro-5-aminopyrimidine, with the CAS registry number 5177-27-5, has the systematic name of 2,4-dichloropyrimidin-5-amine. And the molecular formula of this chemical is C4H3Cl2N3. It is a pyrimidinamine derivative as Plk1 inhibitors. And it belongs to the product category of pharmacetical.
The physical properties of 2,4-Dichloro-5-aminopyrimidine are as following: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.02 Å2; (7)Index of Refraction: 1.633; (8)Molar Refractivity: 36.46 cm3; (9)Molar Volume: 102 cm3; (10) Polarizability: 14.45×10-24cm3; (11)Surface Tension: 68 dyne/cm; (12)Density: 1.606 g/cm3; (13)Flash Point: 129.6 °C; (14)Enthalpy of Vaporization: 53.01 kJ/mol; (15)Boiling Point: 290.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)ncc1N
(2)InChI: InChI=1/C4H3Cl2N3/c5-3-2(7)1-8-4(6)9-3/h1H,7H2
(3)InChIKey: RINHVELYMZLXIW-UHFFFAOYAF