5-Nitropyrimidine-2,4-diamine

Base Information

• Chemical Name: 5-Nitropyrimidine-2,4-diamine
• CAS No.: 18620-73-0
• Molecular Formula: C₄H₅N₅O₂
• Molecular Weight: 155.116
• Hs Code.: 2933599090
• European Community (EC) Number: 633-755-5
• NSC Number: 122004
• DSSTox Substance ID: DTXSID50298253
• Wikidata: Q72462962
• Mol file: 18620-73-0.mol

Synonyms:5-nitropyrimidine-2,4-diamine;18620-73-0;2,4-Diamino-5-nitropyrimidine;NSC122004;5-Nitro-2,4-pyrimidinediamine;SCHEMBL1414668;DTXSID50298253;UUWYIIVPLIJDMQ-UHFFFAOYSA-N;5-Nitro-2,4-pyrimidinediamine #;MFCD00056035;AKOS006273536;CS-W018022;DS-2560;NSC 122004;NSC-122004;AC-25156;FT-0609964;F12688;A880673;W-201672

Chemical Property of 5-Nitropyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 1.77E-10mmHg at 25°C
• Melting Point: 345-350°C
• Boiling Point: 509°Cat760mmHg
• Flash Point: 261.6°C
• PSA: 123.64000
• Density: 1.68g/cm³
• LogP: 1.23480
• Storage Temp.: -20?C Freezer
• Solubility.: DMSO, Hot Methanol, Hot 2N Hydrochloric Acid
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 155.04432442
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

2,4-Diamino-5-nitropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)N)N)[N+](=O)[O-]
• Uses: Has a strong preferential binding to the enzyme dihydrofolate reductase in competition with the substrate, Dihydrofolic Acid Has a strong preferential binding to the enzyme dihydrofolate reductase in competition with the substrate, Dihydrofolic Acid.

Technology Process of 5-Nitropyrimidine-2,4-diamine

There total 7 articles about 5-Nitropyrimidine-2,4-diamine 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:

2,4-Dichloro-5-nitropyrimidine (49845-33-2) → 2,4-diamino-5-nitropyrimidine (18620-73-0)

Guidance literature:

With ammonia; at 100 ℃; im Rohr;

Reference yield:

2-amino-4-chloro-5-nitropyrimidine (160948-35-6) → 2,4-diamino-5-nitropyrimidine (18620-73-0)

Guidance literature:

With ammonia; In ethanol; at 100 ℃; for 4h; Yield given;

Reference yield:

4-amino-2-chloro-5-nitropyrimidine (1920-66-7) → 2,4-diamino-5-nitropyrimidine (18620-73-0)

Guidance literature:

With ammonia; phenol; at 140 ℃;

upstream raw materials:

4-amino-2-chloro-5-nitropyrimidine

2,4-Dichloro-5-nitropyrimidine

4-amino-2-guanidino-5-nitropyrimidine hydrochloride

2-amino-4-chloro-5-nitropyrimidine

Downstream raw materials:

pyrimidine-2,4,5-triamine

C₁₈H₁₃N₅O₄

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