7-(2-methoxyethyl)-2-[4-(methylamino)-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 849678
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: c1(nc(c2c(n1)CCC2)NC)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1nc(NC)c2c(n1)CCC2
• InChI: InChI=1S/C19H29N5O2/c1-20-16-14-5-3-6-15(14)21-18(22-16)24-10-8-19(13-24)7-4-9-23(17(19)25)11-12-26-2/h3-13H2,1-2H3,(H,20,21,22)
• InChIKey: MMCMLIXFVKASOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[4-(methylamino)-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[4-(methylamino)-5H,6H,7H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.13306874
• LogD (pH = 7.4): 1.4496421
• Log P: 1.690336
• Molar Refractivity: 103.718 cm^3
• Polarizability: 38.021603 Å^3
• Polar Surface Area: 70.59 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: 3.15
• LOG S: -4.51
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 5