2-(2-methoxypyridin-3-yl)-N-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

• ChemBase ID: 453340
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: c1(nc(c2c(n1)CCC2)NC)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1nc(NC)c2c(n1)CCC2
• InChI: InChI=1S/C14H16N4O/c1-15-12-9-5-3-7-11(9)17-13(18-12)10-6-4-8-16-14(10)19-2/h4,6,8H,3,5,7H2,1-2H3,(H,15,17,18)
• InChIKey: JYRSXWFCNLKSRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxypyridin-3-yl)-N-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• IUPAC Traditional name: 2-(2-methoxypyridin-3-yl)-N-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• Synonyms: 2-(2-methoxypyridin-3-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.595954
• LogD (pH = 7.4): 2.6558247
• Log P: 2.6566443
• Molar Refractivity: 85.7179 cm^3
• Polarizability: 28.059797 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -3.21
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3