2-methoxypyrimidin-5-amine

• ChemBase ID: 87497
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(ncc(c1)N)OC
• Canonical SMILES: COc1ncc(cn1)N
• InChI: InChI=1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
• InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyrimidin-5-amine
• IUPAC Traditional name: 2-methoxypyrimidin-5-amine
• Synonyms: 2-Methoxypyrimidin-5-amine; 5-Amino-2-methoxypyrimidine; 2-METHOXYPYRIMIDIN-5-AMINE

Database IDs

• CAS Number: 56621-89-7
• MDL Number: MFCD08234878
• PubChem SID: 162074539
• PubChem CID: 352904

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.25809646
• LogD (pH = 7.4): -0.258076
• Log P: -0.25807574
• Molar Refractivity: 33.8319 cm^3
• Polarizability: 12.24047 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-120°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 95+%; 98%