2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 311605
• Molecular Formular: C14H14N4
• Molecular Mass: 238.28776
• Monoisotopic Mass: 238.12184647
• SMILES: n12c(c(c(nc1cc(n2)C)C)c1ccccc1)N
• Canonical SMILES: Cc1nn2c(c1)nc(c(c2N)c1ccccc1)C
• InChI: InChI=1S/C14H14N4/c1-9-8-12-16-10(2)13(14(15)18(12)17-9)11-6-4-3-5-7-11/h3-8H,15H2,1-2H3
• InChIKey: UITLYEVZEXSXKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

Database IDs

• CAS Number: 428845-73-2
• MDL Number: MFCD02661827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8229318
• LogD (pH = 7.4): 1.8232987
• Log P: 1.8233033
• Molar Refractivity: 82.0465 cm^3
• Polarizability: 28.023964 Å^3
• Polar Surface Area: 56.21 Å^2