N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

• ChemBase ID: 760296
• Molecular Formular: C15H17F3N4O
• Molecular Mass: 326.3168896
• Monoisotopic Mass: 326.13544584
• SMILES: c1(nc(ccn1)CCC(F)(F)F)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: CN(c1nccc(n1)CCC(F)(F)F)Cc1noc(c1)C1CC1
• InChI: InChI=1S/C15H17F3N4O/c1-22(9-12-8-13(23-21-12)10-2-3-10)14-19-7-5-11(20-14)4-6-15(16,17)18/h5,7-8,10H,2-4,6,9H2,1H3
• InChIKey: GFWRARDZBRNBTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
• Synonyms: N-[(5-cyclopropylisoxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0874524
• LogD (pH = 7.4): 3.0969007
• Log P: 3.0970225
• Molar Refractivity: 79.5751 cm^3
• Polarizability: 28.499765 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.79
• LOG S: -3.96
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6