4-Pyrimidinamine,5-iodo-6-methyl- supplier

Name
5-IODO-6-METHYL-4-PYRIMIDINAMINE
EINECS
CAS No. 83410-18-8
Article Data4
CAS DataBase
Density 2.017 g/cm³
Solubility
Melting Point
Formula C₅H₆IN₃
Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 235.027
Flash Point 146.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Iodo-6-methyl-4-pyrimidinamine;
PSA 51.80000
LogP 1.55300

4-Pyrimidinamine,5-iodo-6-methyl- Specification

The 4-Pyrimidinamine,5-iodo-6-methyl-, with the CAS registry number 83410-18-8, is also known as 5-Iodo-6-methyl-4-pyrimidinamine. This chemical's molecular formula is C₅H₆IN₃ and molecular weight is 235.03. What's more, its systematic name is called 5-Iodo-6-methylpyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine,5-iodo-6-methyl- are: (1) ACD/LogP: 1.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.49; (4) ACD/LogD (pH 7.4): 1.57; (5) ACD/BCF (pH 5.5): 7.56; (6) ACD/BCF (pH 7.4): 9.16; (7) ACD/KOC (pH 5.5): 140.13; (8) ACD/KOC (pH 7.4): 169.8; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 29.02 Å²; (13) Index of Refraction: 1.687; (14) Molar Refractivity: 44.4 cm³; (15) Molar Volume: 116.5 cm³; (16) Surface Tension: 68 dyne/cm; (17) Density: 2.017 g/cm³; (18) Flash Point: 146.6 °C; (19) Enthalpy of Vaporization: 56.03 kJ/mol; (20) Boiling Point: 318.7 °C at 760 mmHg; (21) Vapour Pressure: 0.000354 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1c(ncnc1C)N
(2) InChI: InChI=1/C5H6IN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
(3) InChIKey: SRJWVTJTDKPYHH-UHFFFAOYAN

Product Name

5-IODO-6-METHYL-4-PYRIMIDINAMINE

4-Pyrimidinamine,5-iodo-6-methyl- Specification

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