7-(cyclopropylmethyl)-2-{[2-(dimethylamino)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 570849
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(Cc2cnc(nc2)N(C)C)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1cnc(nc1)N(C)C)CC1CC1
• InChI: InChI=1S/C19H29N5O/c1-22(2)18-20-10-16(11-21-18)12-23-9-7-19(14-23)6-3-8-24(17(19)25)13-15-4-5-15/h10-11,15H,3-9,12-14H2,1-2H3
• InChIKey: OLWQRGALQBYJQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{[2-(dimethylamino)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{[2-(dimethylamino)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-{[2-(dimethylamino)-5-pyrimidinyl]methyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4866048
• LogD (pH = 7.4): 0.22999357
• Log P: 1.5104485
• Molar Refractivity: 100.1945 cm^3
• Polarizability: 37.848385 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.62
• LOG S: -3.09
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5