4-Amino-6-methoxypyrimidine

Base Information

• Chemical Name: 4-Amino-6-methoxypyrimidine
• CAS No.: 696-45-7
• Molecular Formula: C5H7N3O
• Molecular Weight: 125.13
• Hs Code.: 29335990
• European Community (EC) Number: 626-150-2
• DSSTox Substance ID: DTXSID20352811
• Nikkaji Number: J38.377E
• Wikidata: Q72438993
• Mol file: 696-45-7.mol

Synonyms:4-Amino-6-methoxypyrimidine;696-45-7;6-methoxypyrimidin-4-amine;4-AMINO-6-METHOXY PYRIMIDINE;6-methoxy-4-pyrimidinamine;6-Methoxy-pyrimidin-4-ylamine;4-PYRIMIDINAMINE, 6-METHOXY-;MFCD00129983;6-amino-4-methoxypyrimidine;6-methoxypyrimidin-4-ylamine;SCHEMBL557857;DTXSID20352811;HMS1685J01;(6-methoxy-pyrimidin-4-yl)-amine;4-Amino-6-methoxypyrimidine, 96%;AKOS000604043;CS-W022075;PB30606;PS-5407;SDCCGMLS-0065826.P001;AC-16247;AC-26632;A9213;AM20100653;FT-0621189;EN300-117145;P10080;AG-664/25098047;W-203550;F1967-1296;Z1203578175

Chemical Property of 4-Amino-6-methoxypyrimidine

Chemical Property:

• Appearance/Colour: white to yellow powder
• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: 157-160 °C(lit.)
• Refractive Index: 1.566
• Boiling Point: 290.8 °C at 760 mmHg
• PKA: 4.11±0.10(Predicted)
• Flash Point: 129.7 °C
• PSA: 61.03000
• Density: 1.224 g/cm³
• LogP: 0.64860
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO, Methanol
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

99% ^*data from raw suppliers

6-Methoxy-4-pyrimidinamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-21/22-6/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=NC=NC(=C1)N
• Uses: 6-Methoxy-4-pyrimidinamine is used in the synthesis of carbamothiolacrylamides as selective EP2 antagonists in the treatment of neurodegenerative peripheral diseases. Also used in the preparation of PARP-1 inhibitors.

Technology Process of 4-Amino-6-methoxypyrimidine

There total 4 articles about 4-Amino-6-methoxypyrimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

6-methoxy-2-methylsulfanyl-pyrimidin-4-ylamine (3289-53-0) → 4-amino-6-methoxypyrimidine (696-45-7)

Guidance literature:

With water; nickel;

Reference yield:

5-bromo-2,6-dichloropyrimidin-4-amine (101012-11-7) → 4-amino-6-methoxypyrimidine (696-45-7)

Guidance literature:

Hydrogenation;

Reference yield:

→ 4-amino-6-methoxypyrimidine (696-45-7) + (3S)-2-((2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl)-N-[6-(methyloxy)-4-pyrimidinyl]-3-pyrazolidinecarboxamide (1398751-29-5)

Guidance literature:

upstream raw materials:

6-methoxy-2-methylsulfanyl-pyrimidin-4-ylamine

5-bromo-2,6-dichloropyrimidin-4-amine

Downstream raw materials:

6-methoxypyrimidin-4(3H)-one

4-acetylamino-N-(6-methoxy-pyrimidin-4-yl)-benzenesulfonamide

2-(2,6-dichlorophenyl)-N-(6-methoxypyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine

N-(6-methoxypyrimidin-4-yl)-2-methyl-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-3-carboxamide

Refernces

• 1、 -. "PEPTIDE DEFORMYLASE INHIBITORS". Page/Page column. . Retrieved 2014/02/15.