N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-ethyl-N-methylpyrimidin-2-amine

• ChemBase ID: 863647
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c1(ncc(cn1)CC)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: CCc1cnc(nc1)N(Cc1noc(c1)C1CC1)C
• InChI: InChI=1S/C14H18N4O/c1-3-10-7-15-14(16-8-10)18(2)9-12-6-13(19-17-12)11-4-5-11/h6-8,11H,3-5,9H2,1-2H3
• InChIKey: IXRCYQXNTCVDSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5871289
• LogD (pH = 7.4): 2.5883608
• Log P: 2.5883765
• Molar Refractivity: 74.6146 cm^3
• Polarizability: 27.269472 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.75
• LOG S: -3.43
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5