8-(4-aminopyrimidin-2-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 656234
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c1(nc(ccn1)N)N1CC2(CN(C(=O)CC2)CC2CC2)CCC1
• Canonical SMILES: O=C1CCC2(CN1CC1CC1)CCCN(C2)c1nccc(n1)N
• InChI: InChI=1S/C17H25N5O/c18-14-5-8-19-16(20-14)21-9-1-6-17(11-21)7-4-15(23)22(12-17)10-13-2-3-13/h5,8,13H,1-4,6-7,9-12H2,(H2,18,19,20)
• InChIKey: RDMCZUYYKTWPFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-aminopyrimidin-2-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(4-aminopyrimidin-2-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(4-amino-2-pyrimidinyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.16069585
• LogD (pH = 7.4): 1.2365675
• Log P: 1.423125
• Molar Refractivity: 91.0609 cm^3
• Polarizability: 33.788445 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.38
• LOG S: -3.53
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3