7-(2-methoxyethyl)-2-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 642703
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(c2cc(ncn2)NC(C)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1ncnc(c1)NC(C)C
• InChI: InChI=1S/C18H29N5O2/c1-14(2)21-15-11-16(20-13-19-15)23-8-6-18(12-23)5-4-7-22(17(18)24)9-10-25-3/h11,13-14H,4-10,12H2,1-3H3,(H,19,20,21)
• InChIKey: IZXNBFSKKYRRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[6-(isopropylamino)pyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[6-(isopropylamino)pyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.08658763
• LogD (pH = 7.4): 1.3455541
• Log P: 1.497789
• Molar Refractivity: 100.7955 cm^3
• Polarizability: 37.054512 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.39
• LOG S: -3.77
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6