N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

• ChemBase ID: 569843
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: n1c(noc1C(C)C)CN(c1c2c(ncn1)CCC2)C
• Canonical SMILES: CN(c1ncnc2c1CCC2)Cc1noc(n1)C(C)C
• InChI: InChI=1S/C14H19N5O/c1-9(2)14-17-12(18-20-14)7-19(3)13-10-5-4-6-11(10)15-8-16-13/h8-9H,4-7H2,1-3H3
• InChIKey: GPVYRBFGPYFIDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• Synonyms: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7746696
• LogD (pH = 7.4): 3.0720744
• Log P: 3.077617
• Molar Refractivity: 78.3033 cm^3
• Polarizability: 28.175346 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.83
• LOG S: -2.76
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 4