7-(4-aminopyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 619463
• Molecular Formular: C12H17N5O2
• Molecular Mass: 263.29568
• Monoisotopic Mass: 263.13822481
• SMILES: C1(=O)N(CC2(O1)CN(c1nc(ccn1)N)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)c1nccc(n1)N
• InChI: InChI=1S/C12H17N5O2/c1-16-7-12(19-11(16)18)4-2-6-17(8-12)10-14-5-3-9(13)15-10/h3,5H,2,4,6-8H2,1H3,(H2,13,14,15)
• InChIKey: ZTCHFRHYNSBXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-aminopyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-(4-aminopyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(4-amino-2-pyrimidinyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5638281
• LogD (pH = 7.4): 0.510199
• Log P: 0.68473524
• Molar Refractivity: 71.1565 cm^3
• Polarizability: 26.062674 Å^3
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.23
• LOG S: -2.17
• Polar Surface Area: 84.58 Å^2
• Rotatable Bonds: 1