6-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 39803
• Molecular Formular: C14H14N4O
• Molecular Mass: 254.28716
• Monoisotopic Mass: 254.11676109
• SMILES: n12c(c(cnc1cc(n2)C)c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)c1cnc2n(c1N)nc(c2)C
• InChI: InChI=1S/C14H14N4O/c1-9-7-13-16-8-12(14(15)18(13)17-9)10-3-5-11(19-2)6-4-10/h3-8H,15H2,1-2H3
• InChIKey: DZZCUWCHYWKYFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 6-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 6-(4-Methoxyphenyl)-2-methylpyrazolo-[1,5-a]pyrimidin-7-amine; 6-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

Database IDs

• MDL Number: MFCD03012770
• PubChem SID: 161003110
• PubChem CID: 1482689

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5322413
• LogD (pH = 7.4): 1.5342364
• Log P: 1.534262
• Molar Refractivity: 83.9182 cm^3
• Polarizability: 28.7506 Å^3
• Polar Surface Area: 65.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168 °C; 166-168°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%