2-Amino-4,6-dihydroxy-5-methylpyrimidine

Base Information

• Chemical Name: 2-Amino-4,6-dihydroxy-5-methylpyrimidine
• CAS No.: 6627-65-2
• Molecular Formula: C5H7N3O2
• Molecular Weight: 141.129
• Hs Code.: 2933599090
• European Community (EC) Number: 229-597-8
• NSC Number: 60209
• DSSTox Substance ID: DTXSID30970823
• Nikkaji Number: J225.224D
• Wikidata: Q72436110
• Mol file: 6627-65-2.mol

Synonyms:2-Amino-4,6-dihydroxy-5-methylpyrimidine;6627-65-2;2-amino-5-methylpyrimidine-4,6-diol;2-Amino-6-hydroxy-5-methylpyrimidin-4(3H)-one;2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one;EINECS 229-597-8;2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one;EINECS 259-660-5;4(1H)-Pyrimidinone,2-amino-6-hydroxy-5-(1-methylethyl)-(9CI);NSC60209;Oprea1_306579;SCHEMBL2488690;DTXSID30970823;HMS1611G03;MFCD00023257;NSC 60209;NSC-60209;STK017813;AKOS001622951;AKOS009143705;AC-2392;GS-5666;SB55634;2-Amino-5-methyl-4,6-pyrimidinediol #;2-amino-4,6-dihydroxy-5-methyl-pyrimidine;A8026;CS-0280085;FT-0611089;FT-0686404;H10180;2-Amino-6-hydroxy-5-methylpyrimidin-4(1H)-one;EN300-1461887;2-Imino-5-methyl-1,2-dihydropyrimidine-4,6-diol;4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-methyl-;J-640159;J-800162;W-203092;2-amino-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one;2-amino-5-methyl-1,4,5,6-tetrahydropyrimidine-4,6-dione;6-Hydroxy-2-imino-5-methyl-2,3-dihydropyrimidin-4(1h)-one

Chemical Property of 2-Amino-4,6-dihydroxy-5-methylpyrimidine

Chemical Property:

• Vapor Pressure: 2.78E-08mmHg at 25°C
• Boiling Point: 478.1°Cat760mmHg
• PKA: 7.92±0.10(Predicted)
• Flash Point: 242.9°C
• PSA: 92.00000
• Density: 1.67g/cm³
• LogP: -0.05270
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-6-hydroxy-5-methylpyrimidin-4(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(NC1=O)N)O

Technology Process of 2-Amino-4,6-dihydroxy-5-methylpyrimidine

There total 2 articles about 2-Amino-4,6-dihydroxy-5-methylpyrimidine 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: 91.0%

guanidine hydrochloride (50-01-1) + Diethyl methylmalonate (609-08-5) → 2-amino-4,6-dihydroxy-5-methylpyrimidine (6627-65-2)

Guidance literature:

guanidine hydrochloride; Diethyl methylmalonate; With sodium; In ethanol; at 20 ℃; for 4h; Inert atmosphere;

In ethanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1007/s00044-014-1018-9

Reference yield: 91.0%

→ 2-amino-4,6-dihydroxy-5-methylpyrimidine (6627-65-2)

Guidance literature:

Reference yield: 16.0%

2-amino-4,6-dihydroxy-5-methylpyrimidine (6627-65-2) → 4,6-dichloro-5-methylpyrimidin-2-amine (7153-13-1)

Guidance literature:

In trichlorophosphate;

upstream raw materials:

guanidine hydrochloride

Diethyl methylmalonate

Downstream raw materials:

4,6-dichloro-5-methylpyrimidin-2-amine

Refernces

• 1、 Jansa, Petr,Holy, Antonín,Dra?ínsky, Martin,Kolman, Viktor,Janeba, Zlatko,Kostecká, Petra,Kmoní?ková, Eva,Zídek, Zdeněk. "5-Substituted 2-amino-4, 6-dihydroxypyrimidines and 2-amino-4, 6-dichloropyrimidines: Synthesis and inhibitory effects on immune-activated nitric oxide production". . p. 4482 - 4490. Retrieved 2015/04/14.
• 2、 -. "Pyrimidines and uses thereof". . . Retrieved 2008/06/13.