2-methoxypyrimidin-4-amine

• ChemBase ID: 64583
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(nccc1N)OC
• Canonical SMILES: COc1nc(N)ccn1
• InChI: InChI=1S/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8)
• InChIKey: DHYLZDVDOQLEAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyrimidin-4-amine
• IUPAC Traditional name: 4-amino-2-methoxypyrimidine
• Synonyms: 4-Amino-2-methoxypyrimidine; 2-Methoxypyrimidin-4-amine

Database IDs

• CAS Number: 3289-47-2
• MDL Number: MFCD00128201
• PubChem SID: 162030322
• PubChem CID: 160679

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24117023
• LogD (pH = 7.4): 0.3350323
• Log P: 0.3363818
• Molar Refractivity: 34.1454 cm^3
• Polarizability: 12.236093 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%