Related Searches: 2-Amino-4,6-dimethoxypyrimidine, 2-Amino-4,6-dimethylpyrimidine, 2-Amino-4,6-dihydroxypyrimidine, Pyrimidine,4,6-dichloro-2-methyl-5-amino, 5-Amino-4,6-dichloropyrimidine, View all

2-Amino-4,6-dimethoxypyrimidine(CAS No. 36315-01-2)

2-Amino-4,6-dimethoxypyrimidine C6H9N3O2 (cas 36315-01-2) Molecular Structure

36315-01-2 Structure

Identification and Related Records

【Name】
2-Amino-4,6-dimethoxypyrimidine
【CAS Registry number】
36315-01-2
【Synonyms】
4,6-Dimethoxypyrimidin-2-amine
【EINECS(EC#)】
252-969-6
【Molecular Formula】
C6H9N3O2 (Products with the same molecular formula)
【Molecular Weight】
155.16
【Inchi】
InChI=1/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
【Canonical SMILES】
COC1=CC(=NC(=N1)N)OC
【MOL File】
36315-01-2.mol

Chemical and Physical Properties

【Appearance】
off-white to tan crystalline powder
【Density】
1.229 g/cm3
【Melting Point】
94-96℃
【Refractive Index】
1.547
【Flash Point】
169.4 °C
【Solubilities】
(Soluble in methanol) AUTOIGNITION
【Stability】
No data.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:155.15456 [g/mol]
Molecular Formula:C6H9N3O2
XLogP3-AA:0.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:155.069477
MonoIsotopic Mass:155.069477
Topological Polar Surface Area:70.3
Heavy Atom Count:11
Formal Charge:0
Complexity:110
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Hazard Note】

Irritant

【Transport】
25kgs
【Specification】

The 2-Amino-4,6-dimethoxypyrimidine with the cas number 36315-01-2, is also called (4,6-Dimethoxypyrimidin-2-amine named by IUPAC. 2-Amino-4,6-dimethoxypyrimidine belongs to the following product categories: (1)Pyridines ; (2)Pyrimidines ; (3)Purines and Pteredines; (4)Pyrimidine; (5)Amines; (6)Pyrimidines; (7)Building Blocks; (8)Heterocyclic Building Blocks.

Properties of 2-Amino-4,6-dimethoxypyrimidine: (1)H bond acceptors:? 5? ; (2)H bond donors:? 2? ; (3)Freely Rotating Bonds:? 2 ; (4)Polar Surface Area:? 47.48??? ; (5)Index of Refraction:? 1.547? ; (6)Molar Refractivity:? 40.02 cm3? ; (7)Molar Volume:? 126.1 cm3? ; (8)Polarizability:? 15.86× 10-24cm3? ; (9)Surface Tension:? 49.5 dyne/cm? ; (10)Density:? 1.229 g/cm3? ; (11)Flash Point:? 169.4 °C? ; (12)Enthalpy of Vaporization:? 60.17 kJ/mol? ; (13)Boiling Point:? 356.4 °C at 760 mmHg? ; (14)Vapour Pressure:? 2.92E-05 mmHg at 25°C?

Uses of 2-Amino-4,6-dimethoxypyrimidine: This product is a kind of important? pesticide intermediates for synthesis of sulfonylurea pesticide, such as bensulfuron methyl , Nicosulfuron , cyclosulfamuron , Ethoxysulfuron , Rimsulfuron , Azimsulfuron and so on.

Preparation of 2-Amino-4,6-dimethoxypyrimidine: (1)It is mainly produced by raw materials such as propylene nitriles, methanol, cyanamide. (2) Reaction of N,N-Dimethylaniline, with 2-Amino-4,6-dihydroxypyrimidine and phosphorus oxychloride? to produce 2-Amino-4,6-dichloropyrimidine. Then react with sodium methoxide to obtain 2-Amino-4,6-dimethoxypyrimidine.

When you are using this chemical, please be cautious about it as the following:
Firstly, 2-Amino-4,6-dimethoxypyrimidine is irritating not only to eyes, respiratory system but also is irritating to skin. When using it, please wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure :
1. SMILES: O(c1nc(nc(OC)c1)N)C
2. InChI: InChI=1/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

Use and Manufacturing

【Usage】

2-Amino-4,6-dimethoxypyrimidine is a building block for various chemical synthesis. Attributes PIS available on request. Please contact us. Contact

Supplier Location

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