N,N,4-trimethyl-6-(4-{[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}piperidin-1-yl)pyrimidin-2-amine

• ChemBase ID: 563687
• Molecular Formular: C19H31N7
• Molecular Mass: 357.49634
• Monoisotopic Mass: 357.26409403
• SMILES: n1c(nc(cc1N1CCC(NC(c2cn(nc2)C)CC)CC1)C)N(C)C
• Canonical SMILES: CCC(c1cnn(c1)C)NC1CCN(CC1)c1cc(C)nc(n1)N(C)C
• InChI: InChI=1S/C19H31N7/c1-6-17(15-12-20-25(5)13-15)22-16-7-9-26(10-8-16)18-11-14(2)21-19(23-18)24(3)4/h11-13,16-17,22H,6-10H2,1-5H3
• InChIKey: AZLIZFPOBSLTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethyl-6-(4-{[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}piperidin-1-yl)pyrimidin-2-amine
• IUPAC Traditional name: N,N,4-trimethyl-6-(4-{[1-(1-methylpyrazol-4-yl)propyl]amino}piperidin-1-yl)pyrimidin-2-amine
• Synonyms: N,N,4-trimethyl-6-(4-{[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}piperidin-1-yl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.5123906
• LogD (pH = 7.4): -0.07303184
• Log P: 2.4056256
• Molar Refractivity: 119.0457 cm^3
• Polarizability: 39.949017 Å^3
• Polar Surface Area: 62.11 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: 2.5
• LOG S: -2.93
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 6