6-{3-phenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl}-N-(propan-2-yl)pyrimidin-4-amine

• ChemBase ID: 732063
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c12c(noc1CCN(C2)c1cc(ncn1)NC(C)C)c1ccccc1
• Canonical SMILES: CC(Nc1ncnc(c1)N1CCc2c(C1)c(no2)c1ccccc1)C
• InChI: InChI=1S/C19H21N5O/c1-13(2)22-17-10-18(21-12-20-17)24-9-8-16-15(11-24)19(23-25-16)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,20,21,22)
• InChIKey: VNVWKPNMPJSRKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-phenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl}-N-(propan-2-yl)pyrimidin-4-amine
• IUPAC Traditional name: N-isopropyl-6-{3-phenyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl}pyrimidin-4-amine
• Synonyms: N-isopropyl-6-(3-phenyl-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0623248
• LogD (pH = 7.4): 3.3047931
• Log P: 3.446138
• Molar Refractivity: 101.2554 cm^3
• Polarizability: 37.57775 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.81
• LOG S: -4.9
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 4