{2-methyl-6-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyrimidin-4-yl}methanamine

• ChemBase ID: 795666
• Molecular Formular: C15H25N5
• Molecular Mass: 275.3925
• Monoisotopic Mass: 275.21099583
• SMILES: c1(nc(nc(c1)CN)C)N1CCC(N2CCCC2)CC1
• Canonical SMILES: NCc1cc(nc(n1)C)N1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C15H25N5/c1-12-17-13(11-16)10-15(18-12)20-8-4-14(5-9-20)19-6-2-3-7-19/h10,14H,2-9,11,16H2,1H3
• InChIKey: PBXVBYFRELOKQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-methyl-6-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyrimidin-4-yl}methanamine
• IUPAC Traditional name: {2-methyl-6-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyrimidin-4-yl}methanamine
• Synonyms: 1-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.2280583
• LogD (pH = 7.4): -2.3409896
• Log P: 1.0839733
• Molar Refractivity: 83.0321 cm^3
• Polarizability: 31.447086 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: 4
• H Donor: 1
• Log P: 0.2
• LOG S: -0.37
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 3