4-Aminopyrimidin-5-ol

Base Information

• Chemical Name: 4-Aminopyrimidin-5-ol
• CAS No.: 52601-89-5
• Molecular Formula: C₄H₅N₃O
• Molecular Weight: 111.103
• Hs Code.: 2933599090
• European Community (EC) Number: 873-229-4
• DSSTox Substance ID: DTXSID60561743
• Nikkaji Number: J35.707C
• Wikidata: Q82445602
• Mol file: 52601-89-5.mol

Synonyms:4-Aminopyrimidin-5-ol;52601-89-5;MFCD18642504;5-Pyrimidinol, 4-amino-;4-Amino-5-hydroxypyrimidine;5-Pyrimidinol,4-amino-;5-hydroxy-6-aminopyrimidine;SCHEMBL4985778;DTXSID60561743;QPISWILGPJGWLV-UHFFFAOYSA-N;AKOS006370231;SB57829;DS-16785;SY118857;AM20210043;CS-0157800

Chemical Property of 4-Aminopyrimidin-5-ol

Chemical Property:

• PSA: 72.76000
• LogP: -0.30550
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 111.043261792
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

97% ^*data from raw suppliers

4-Aminopyrimidin-5-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)N)O

Technology Process of 4-Aminopyrimidin-5-ol

There total 2 articles about 4-Aminopyrimidin-5-ol 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: 90.0%

amino-4 methoxy-5 pyrimidine (695-86-3) → 4-amino-5-hydroxy-pyrimidine (52601-89-5)

Guidance literature:

With sodium methylate; 1-dodecylthiol; In N,N-dimethyl-formamide; at 120 ℃; for 12h; Inert atmosphere;

Reference yield:

→ 4-amino-5-hydroxy-pyrimidine (52601-89-5)

Guidance literature:

4-Amino-5-benzyloxy-pyrimidin/Ethanol, H2 (Pd-Kohle);

DOI:10.1039/jr9630005590

Reference yield: 45.0%

orthoformic acid triethyl ester (122-51-0) + 4-amino-5-hydroxy-pyrimidine (52601-89-5) → oxazolo<4,5-d>pyrimidine (42850-93-1)

Guidance literature:

With toluene-4-sulfonic acid; at 140 - 180 ℃;

DOI:10.1016/S0040-4039(00)88750-X

upstream raw materials:

amino-4 methoxy-5 pyrimidine

Downstream raw materials:

2-methyloxazolo<4,5-d>pyrimidine

oxazolo<4,5-d>pyrimidine

3-(oxazolo[4,5-d]pyrimidin-2-yl)phenol

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