2,5-dichloro-4-methoxypyrimidine

• ChemBase ID: 65754
• Molecular Formular: C5H4Cl2N2O
• Molecular Mass: 179.00406
• Monoisotopic Mass: 177.97006812
• SMILES: n1c(nc(c(c1)Cl)OC)Cl
• Canonical SMILES: COc1nc(Cl)ncc1Cl
• InChI: InChI=1S/C5H4Cl2N2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3
• InChIKey: FNXVYHFDDCNERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methoxypyrimidine
• IUPAC Traditional name: 2,5-dichloro-4-methoxypyrimidine
• Synonyms: 2,5-Dichloro-4-methoxypyrimidine

Database IDs

• CAS Number: 5750-74-3
• MDL Number: MFCD11858598
• PubChem SID: 162031493
• PubChem CID: 49761746

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9991164
• LogD (pH = 7.4): 1.9991168
• Log P: 1.9991168
• Molar Refractivity: 39.8024 cm^3
• Polarizability: 15.144674 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%