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| CAS No.: | 7153-13-1 |
|---|---|
| Name: | 2-Amino-4,6-dichloro-5-methylpyrimidine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C5H5Cl2N3 |
| Molecular Weight: | 178.021 |
| Synonyms: | Pyrimidine,2-amino-4,6-dichloro-5-methyl- (6CI,8CI);NSC 60203;4,6-Dichloro-5-methylpyrimidin-2-amine; |
| EINECS: | 200-582-5 |
| Density: | 1.504 g/cm3 |
| Boiling Point: | 354.1 °C at 760 mmHg |
| Flash Point: | 168 °C |
| Appearance: | White to Light yellowish powder |
| PSA: | 51.80000 |
| LogP: | 2.25520 |
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Specification
The IUPAC name of 2-Pyrimidinamine,4,6-dichloro-5-methyl- is 4,6-dichloro-5-methylpyrimidin-2-amine. With the CAS registry number 7153-13-1, it is also named as 2-Amino-4,6-dichloro-5-methylpyrimidine. The product's categories are APIs & Intermediate; Pyrimidine; Pyrimidines. In addition, its molecular formula is C5H5Cl2N3 and molecular weight is 178.02.
The other characteristics of 2-Pyrimidinamine,4,6-dichloro-5-methyl- can be summarized as: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 29.02 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 41.28 cm3; (9)Molar Volume: 118.3 cm3; (10)Polarizability: 16.36×10-24cm3; (11)Surface Tension: 61 dyne/cm; (12)Density: 1.504 g/cm3; (13)Flash Point: 168 °C; (14)Enthalpy of Vaporization: 59.91 kJ/mol; (15)Boiling Point: 354.1 °C at 760 mmHg; (16)Vapour Pressure: 3.42E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nc(nc(Cl)c1C)N
(2)InChI: InChI=1/C5H5Cl2N3/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
(3)InChIKey: ISVBZKXYQWWVPC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5Cl2N3/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
(5)Std. InChIKey: ISVBZKXYQWWVPC-UHFFFAOYSA-N