N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 248142
• Molecular Formular: C15H16FN5
• Molecular Mass: 285.3194432
• Monoisotopic Mass: 285.13897376
• SMILES: n12c(ncn2)nc(cc1NC(Cc1ccc(F)cc1)C)C
• Canonical SMILES: CC(Nc1cc(C)nc2n1ncn2)Cc1ccc(cc1)F
• InChI: InChI=1S/C15H16FN5/c1-10(7-12-3-5-13(16)6-4-12)19-14-8-11(2)20-15-17-9-18-21(14)15/h3-6,8-10,19H,7H2,1-2H3
• InChIKey: ODNQJXQOXNGIDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Database IDs

• PubChem SID: 164304052
• PubChem CID: 60966379

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.478387
• LogD (pH = 7.4): 2.478403
• Log P: 2.478403
• Molar Refractivity: 91.6463 cm^3
• Polarizability: 29.13332 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.136

Product Information

• Purity: 95%