8-(4-aminopyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 637785
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: n1c(N2CCC3(CN(C(=O)C3)CCCOC)CC2)nccc1N
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1nccc(n1)N
• InChI: InChI=1S/C16H25N5O2/c1-23-10-2-7-21-12-16(11-14(21)22)4-8-20(9-5-16)15-18-6-3-13(17)19-15/h3,6H,2,4-5,7-12H2,1H3,(H2,17,18,19)
• InChIKey: YZFILTIATNZXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-aminopyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(4-aminopyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(4-amino-2-pyrimidinyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2095319
• LogD (pH = 7.4): -0.1334818
• Log P: 0.05505582
• Molar Refractivity: 90.5808 cm^3
• Polarizability: 33.38852 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.35
• LOG S: -2.68
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 5