2,4-Diamino-5-(3-fluorobenzyl)pyrimidine

Base Information

• Chemical Name: 2,4-Diamino-5-(3-fluorobenzyl)pyrimidine
• CAS No.: 69945-57-9
• Molecular Formula: C11H11FN4
• Molecular Weight: 218.234
• Hs Code.: 2933599090
• ChEMBL ID: CHEMBL19772
• DSSTox Substance ID: DTXSID10566743
• Nikkaji Number: J360.473J
• Wikidata: Q82452497
• Mol file: 69945-57-9.mol

Synonyms:2,4-Diamino-5-(3-fluorobenzyl)pyrimidine;69945-57-9;5-[(3-fluorophenyl)methyl]pyrimidine-2,4-diamine;CHEMBL19772;SCHEMBL1774870;DTXSID10566743;BDBM50405962;MFCD09877842;SB59617;A836705

Chemical Property of 2,4-Diamino-5-(3-fluorobenzyl)pyrimidine

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Refractive Index: 1.655
• Boiling Point: 454.9 °C at 760 mmHg
• PKA: 7.10±0.10(Predicted)
• Flash Point: 228.9 °C
• PSA: 77.82000
• Density: 1.33 g/cm³
• LogP: 2.53330
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.09677453
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

98% ^*data from raw suppliers

2,4-Diamino-5-(3-fluorobenzyl)pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CC2=CN=C(N=C2N)N