2-Pyrimidinamine, 5-methyl- (9CI) supplier

Name
2-Pyrimidinamine, 5-methyl- (9CI)
EINECS
CAS No. 50840-23-8
Article Data5
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point 192-193ºC
Formula C₅H₇N₃
Boiling Point 283.398 °C at 760 mmHg
Molecular Weight 109.131
Flash Point 149.873 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Amino-5-methylpyrimidine;
PSA 51.80000
LogP 0.94840

2-Pyrimidinamine, 5-methyl- (9CI) Specification

The 2-Pyrimidinamine, 5-methyl- (9CI), with the CAS registry number 50840-23-8, has the systematic name of 5-methylpyrimidin-2-amine. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C₅H₇N₃.

The characteristics of 2-Pyrimidinamine, 5-methyl- (9CI) are as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 31.496 cm³; (15)Molar Volume: 94.436 cm³; (16)Polarizability: 12.486×10^-24cm³; (17)Surface Tension: 56.619 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 149.873 °C; (20)Enthalpy of Vaporization: 52.232 kJ/mol; (21)Boiling Point: 283.398 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of 2-Pyrimidinamine, 5-methyl- (9CI): This chemical can be prepared by 3-ethoxy-2-methyl-propenal and guanidine; hydrochloride. The reaction will need reagent NaOC₂H₅, and the menstruum ethanol. The reaction time is 24 hours with heating, and the yield is about 40%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cnc(N)nc1
(2)InChI: InChI=1/C5H7N3/c1-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: MHZNCOBCMWBPPM-UHFFFAOYAM

Product Name

2-Pyrimidinamine, 5-methyl- (9CI)

2-Pyrimidinamine, 5-methyl- (9CI) Specification

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