4-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyrimidin-2-amine

• ChemBase ID: 527772
• Molecular Formular: C17H27N5
• Molecular Mass: 301.42978
• Monoisotopic Mass: 301.22664589
• SMILES: n1c(N2CC3(CN(CC4CC4)CCC3)CC2)cc(nc1N)C
• Canonical SMILES: Cc1cc(nc(n1)N)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C17H27N5/c1-13-9-15(20-16(18)19-13)22-8-6-17(12-22)5-2-7-21(11-17)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H2,18,19,20)
• InChIKey: SZHQQYBEMAEHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyrimidin-2-amine
• Synonyms: 4-[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]-6-methyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.021883
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1620824
• LogD (pH = 7.4): -0.81683856
• Log P: 2.0618267
• Molar Refractivity: 91.4259 cm^3
• Polarizability: 34.01526 Å^3
• Polar Surface Area: 58.28 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: 2.35
• LOG S: -2.4
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 3