6-Chloro-2-ethyl-4-pyrimidinamine supplier

Name
6-CHLORO-2-ETHYL-PYRIMIDIN-4-YL-AMINE
EINECS
CAS No. 98134-36-2
Density 1.282 g/cm³
Solubility
Melting Point
Formula C₆H₈ClN₃
Boiling Point 278.3 °C at 760 mmHg
Molecular Weight 157.603
Flash Point 122.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-2-ethyl-pyrimidin-4-yl-amine;
PSA 51.80000
LogP 1.85580

6-Chloro-2-ethyl-4-pyrimidinamine Specification

The 4-Amino-6-chloro-2-ethylpyrimidine is an organic compound with the formula C₆H₈ClN₃. The IUPAC name of this chemical is 6-chloro-2-ethylpyrimidin-4-amine. With the CAS registry number 98134-36-2, it is also named as 4-pyrimidinamine, 6-chloro-2-ethyl-. The molecular wight is 157.6.

The other characteristics of 4-Amino-6-chloro-2-ethylpyrimidine can be summarized as: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.13; (6)ACD/BCF (pH 7.4): 6.13; (7)ACD/KOC (pH 5.5): 127.35; (8)ACD/KOC (pH 7.4): 127.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 41.11 cm³; (14)Molar Volume: 122.9 cm³; (15)Polarizability: 16.29×10^-24 cm³; (16)Surface Tension: 54.4 dyne/cm; (17)Enthalpy of Vaporization: 51.69 kJ/mol; (18)Vapour Pressure: 0.0043 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 9; (21)Exact Mass: 157.040675; (22)MonoIsotopic Mass: 157.040675; (23)Topological Polar Surface Area: 51.8; (24)Heavy Atom Count: 10; (25)Complexity: 109.

People can use the following data to convert to the molecule structure.
1. SMILES:CCc1nc(cc(n1)Cl)N
2. InChI:InChI=1/C6H8ClN3/c1-2-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
3. InChIKey:UNSVPHMKJQIBCH-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H8ClN3/c1-2-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
5. Std. InChIKey:UNSVPHMKJQIBCH-UHFFFAOYSA-N

Product Name

6-CHLORO-2-ETHYL-PYRIMIDIN-4-YL-AMINE

6-Chloro-2-ethyl-4-pyrimidinamine Specification

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