2-amino-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(propan-2-yl)pyrimidine-4-carboxamide

• ChemBase ID: 483811
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: n1c(noc1CCNC(=O)c1nc(nc(c1)C(C)C)N)C1CC1
• Canonical SMILES: Nc1nc(cc(n1)C(C)C)C(=O)NCCc1onc(n1)C1CC1
• InChI: InChI=1S/C15H20N6O2/c1-8(2)10-7-11(19-15(16)18-10)14(22)17-6-5-12-20-13(21-23-12)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,17,22)(H2,16,18,19)
• InChIKey: DPHCXEVZVZVABV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-6-(propan-2-yl)pyrimidine-4-carboxamide
• IUPAC Traditional name: 2-amino-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-6-isopropylpyrimidine-4-carboxamide
• Synonyms: 2-amino-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-6-isopropylpyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.130833
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.762779
• LogD (pH = 7.4): 1.7632844
• Log P: 1.763291
• Molar Refractivity: 86.0434 cm^3
• Polarizability: 31.16018 Å^3
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.73
• LOG S: -2.13
• Polar Surface Area: 119.82 Å^2
• Rotatable Bonds: 6